Molecular Properties | |
SMILES: | CC12CC3(C)CC(NC(=O)c4cncnc4)(C1)CC(C(=O)O)(C2)C3 |
MW: | 329.17 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.18 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
adamantyl
MAR-TRE-9d18ae8c-31
0.478
MAR-TRE-9d18ae8c-96
0.444
MAR-TRE-9d18ae8c-95
0.433
MAR-TRE-9d18ae8c-76
0.371
MAR-TRE-9d18ae8c-39
0.368
MAR-TRE-c317dd82-68
0.368
MAR-TRE-9d18ae8c-42
0.365
MAR-TRE-92684b97-73
0.354
MAR-TRE-92684b97-52
0.347
MAR-TRE-4f781e27-21
0.347
MAR-TRE-9d18ae8c-61
0.343
MAR-TRE-e82e6c98-41
0.338
MAR-TRE-9d18ae8c-72
0.333
MAR-TRE-66ac689e-83
0.333
MAR-TRE-92684b97-31
0.329
MAR-TRE-9d18ae8c-33
0.329
MAR-TRE-a9136c7b-36
0.329
MAR-TRE-c317dd82-53
0.324
MAR-TRE-92684b97-4
0.321
MAR-TRE-66ac689e-7
0.321
MAR-TRE-e82e6c98-55
0.320
MAR-TRE-4f781e27-33
0.316
MAR-TRE-be9ff7d2-65
0.315
MAR-TRE-c317dd82-66
0.313
MAR-TRE-66ac689e-55
0.312
MAR-TRE-9d18ae8c-27
0.312
MAR-TRE-92684b97-95
0.312
MAR-TRE-92684b97-76
0.312
MAR-TRE-be9ff7d2-79
0.309
MAR-TRE-9d18ae8c-68
0.309
MAR-TRE-e82e6c98-1
0.308
MAR-TRE-be9ff7d2-66
0.304
MAR-TRE-e82e6c98-66
0.304
MAR-TRE-66ac689e-51
0.304
MAR-TRE-8190bb11-65
0.303
MAR-TRE-c317dd82-63
0.303
MAR-TRE-c317dd82-98
0.301
MAR-TRE-c317dd82-93
0.300
MAR-TRE-92684b97-19
0.300
MAR-TRE-be9ff7d2-83
0.299
MAR-TRE-8190bb11-53
0.299
MAR-TRE-e82e6c98-20
0.299
MAR-TRE-e82e6c98-83
0.299
MAR-TRE-9d18ae8c-32
0.298
MAR-TRE-66ac689e-8
0.296
MAR-TRE-c317dd82-21
0.296
MAR-TRE-c317dd82-41
0.296
MAR-TRE-c317dd82-87
0.295
MAR-TRE-e82e6c98-100
0.295
MAR-TRE-e82e6c98-22
0.295
MAR-TRE-be9ff7d2-76
0.295
MAR-TRE-be9ff7d2-88
0.293
MAR-TRE-4f781e27-41
0.293
MAR-TRE-e82e6c98-7
0.293
MAR-TRE-4f781e27-35
0.293
MAR-TRE-c317dd82-62
0.293
MAR-TRE-66ac689e-5
0.293
MAR-TRE-92684b97-78
0.292
MAR-TRE-c317dd82-48
0.292
MAR-TRE-92684b97-7
0.291
MAR-TRE-92684b97-39
0.291
MAR-TRE-9d18ae8c-97
0.291
MAR-TRE-66ac689e-72
0.291
MAR-TRE-4f781e27-22
0.291
MAR-TRE-c317dd82-76
0.291
MAR-TRE-799db12b-55
0.291
MAR-TRE-be9ff7d2-2
0.291
MAR-TRE-8190bb11-62
0.289
MAR-TRE-be9ff7d2-31
0.289
MAR-TRE-be9ff7d2-38
0.289
MAR-TRE-a9136c7b-75
0.289
MAR-TRE-8190bb11-59
0.289
MAR-TRE-c317dd82-15
0.289
MAR-TRE-a9136c7b-42
0.289
MAR-TRE-a9136c7b-89
0.289
MAR-TRE-66ac689e-31
0.289
MAR-TRE-66ac689e-90
0.289
MAR-TRE-be9ff7d2-74
0.288
MAR-TRE-92684b97-57
0.288
MAR-TRE-c317dd82-88
0.288
MAR-TRE-be9ff7d2-47
0.288
MAR-TRE-e82e6c98-13
0.287
MAR-TRE-c317dd82-99
0.287
MAR-TRE-be9ff7d2-22
0.287
MAR-TRE-a9136c7b-91
0.287
MAR-TRE-799db12b-32
0.287
MAR-TRE-92684b97-40
0.286
MAR-TRE-92684b97-80
0.286
MAR-TRE-9d18ae8c-21
0.286
MAR-TRE-9d18ae8c-64
0.286
MAR-TRE-a9136c7b-66
0.286
MAR-TRE-4f781e27-50
0.286
MAR-TRE-9d18ae8c-15
0.286
MAR-TRE-c317dd82-72
0.286
MAR-TRE-be9ff7d2-41
0.286
MAR-TRE-e82e6c98-88
0.286
MAR-TRE-9d18ae8c-2
0.284
MAR-TRE-4f781e27-36
0.284
MAR-TRE-4f781e27-63
0.284
MAR-TRE-c317dd82-34
0.284