Recent　experiments　have　found　that　fullerenols　can　inhibit　coagulation　factor　X　(FXa)　activity　and　have　the　effects　on　anticoagulation.　But　the　interactions　between　fullerene　derivatives　and　FXa　are　still　lacking　which　are　crucial　for　the　new　inhibitors　designs　and　applications.　In　this　study,　we　investigated　the　interaction　principle　between　FXa　and　fullerenol　molecules　(C-60(OH)(24)/carboxyfullerene　molecules　(C-60(C(COOH)(2))(2))　with　different　hydrophilic-hydrophobic　properties　via　AutoDock　Vina.　We　performed　molecular　docking　to　obtain　the　binding　mode　conformations　of　C-60(OH)(24)　/C-60　(C(COOH)(2))(2)　to　FXa　and　investigated　multibody　adsorption　behaviors　of　C-60(OH)(24)　/C-60　(C(COOH)(2))(2)　to　FXa.　Then　we　analyzed　the　interactions　between　FXa　and　C-60(OH)(24)/C-60　(C(COOH)(2))(2)　to　obtain　the　absorption　driving　mechanism.　We　found　C-60(C(COOH)(2))(2)　was　more　stable　to　bind　to　the　active　site　of　FXa　compared　with　C-60(OH)(24)with　lower　binding　energy　during　the　competitive　absorptions.　The　adsorption　behaviors　of　fullerene　derivatives　C-60(OH)(24)　and　C-60　(C(COOH)(2))(2)　were　different　as　well　during　their　multibody　absorptions.　The　absorption　of　C-60(OH)(24)　was　driven　by　hydrophilic　interactions　while　that　of　C-60(C(COOH)(2))(2)　was　driven　by　hydrophobic　interactions.　These　results　can　be　used　to　guide　the　design　and　optimization　of　the　fullerene　derivative　anticoagulant　through　inhibiting　the　activity　of　FXa.