Molecular Properties | |
SMILES: | Cc1noc(C)c1S(=O)(=O)N1CCC(NC(=O)c2cncnc2)CC1 |
MW: | 365.12 |
Fraction sp3: | 0.47 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 118.29 |
cLogP: | 0.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-a9136c7b-64
0.558
MAR-TRE-2fd8122f-29
0.453
MAR-TRE-c317dd82-88
0.452
MAR-TRE-e82e6c98-65
0.449
MAR-TRE-be9ff7d2-42
0.430
MAR-TRE-e82e6c98-78
0.429
MAR-TRE-6a44bbf2-24
0.427
MAR-TRE-a9136c7b-89
0.417
MAR-TRE-799db12b-29
0.407
MAR-TRE-c317dd82-80
0.400
MAR-TRE-c317dd82-8
0.388
MAR-TRE-c317dd82-89
0.386
MAR-TRE-9d18ae8c-78
0.370
MAR-TRE-c317dd82-44
0.368
MAR-TRE-8190bb11-100
0.341
MAR-TRE-e82e6c98-69
0.340
MAR-TRE-c317dd82-46
0.333
MAR-TRE-c317dd82-3
0.330
MAR-TRE-e82e6c98-81
0.329
MAR-TRE-be9ff7d2-88
0.329
MAR-TRE-92684b97-33
0.326
MAR-TRE-c317dd82-69
0.326
MAR-TRE-be9ff7d2-63
0.325
MAR-TRE-92684b97-57
0.325
MAR-TRE-c317dd82-78
0.323
MAR-TRE-f5c2d31c-51
0.323
MAR-TRE-be9ff7d2-53
0.323
MAR-TRE-e82e6c98-99
0.322
MAR-TRE-92684b97-40
0.321
SIM-SYN-3099a863-1
0.319
MAR-TRE-be9ff7d2-55
0.319
MAR-TRE-c317dd82-14
0.319
MAR-TRE-9d18ae8c-93
0.318
MAR-TRE-c317dd82-73
0.318
MAR-TRE-c317dd82-82
0.318
MAR-TRE-a9136c7b-96
0.315
MAR-TRE-c317dd82-18
0.314
MAR-TRE-a9136c7b-95
0.312
MAR-TRE-4f781e27-67
0.312
MAR-TRE-4f781e27-72
0.310
MAR-TRE-e82e6c98-26
0.310
MAR-TRE-9d18ae8c-98
0.308
MAK-UNK-009ebe36-3
0.305
SAD-SAT-135344c3-4
0.305
MAR-TRE-c317dd82-2
0.305
MAR-TRE-e82e6c98-86
0.305
MAR-TRE-c317dd82-98
0.305
MAR-TRE-4f781e27-89
0.304
MAR-TRE-c317dd82-34
0.303
MAR-TRE-c317dd82-22
0.303
MAR-TRE-a9136c7b-56
0.302
MAR-TRE-8190bb11-53
0.302
MAR-TRE-e82e6c98-96
0.302
MAR-TRE-a9136c7b-65
0.301
MAR-TRE-799db12b-34
0.301
MAR-TRE-66ac689e-47
0.301
MAR-TRE-e82e6c98-28
0.300
MAR-TRE-be9ff7d2-69
0.299
MAR-TRE-c317dd82-87
0.299
MAR-TRE-92684b97-95
0.299
MAR-TRE-a9136c7b-17
0.298
MAR-TRE-e82e6c98-47
0.298
MAR-TRE-4f781e27-77
0.297
MAR-TRE-92684b97-62
0.297
MAR-TRE-92684b97-7
0.295
MAR-TRE-92684b97-34
0.295
MAR-TRE-92684b97-39
0.295
MAR-TRE-c317dd82-100
0.295
MAR-TRE-799db12b-71
0.295
MAR-TRE-c317dd82-85
0.295
MAR-TRE-799db12b-52
0.293
MAR-TRE-be9ff7d2-29
0.293
MAR-TRE-be9ff7d2-74
0.293
MAR-TRE-a9136c7b-38
0.292
MAR-TRE-be9ff7d2-22
0.292
MAR-TRE-92684b97-20
0.292
MAR-TRE-e82e6c98-66
0.292
MAR-TRE-799db12b-64
0.292
MAR-TRE-a9136c7b-40
0.291
MAR-TRE-4f781e27-79
0.290
MAR-TRE-e82e6c98-34
0.289
MAR-TRE-66ac689e-6
0.289
MAR-TRE-e82e6c98-44
0.289
MAR-TRE-2fd8122f-19
0.289
MAR-TRE-799db12b-92
0.289
SAD-SAT-135344c3-5
0.289
MAR-TRE-be9ff7d2-75
0.289
MAR-TRE-92684b97-48
0.287
MAR-TRE-a9136c7b-47
0.287
MAR-TRE-e82e6c98-53
0.287
MAR-TRE-e82e6c98-3
0.286
MAR-TRE-9c797165-62
0.286
MAR-TRE-4f781e27-51
0.286
MAR-TRE-c317dd82-6
0.286
MAR-TRE-a9136c7b-16
0.284
MAR-TRE-be9ff7d2-13
0.284
MAR-TRE-be9ff7d2-72
0.284
MAR-TRE-e82e6c98-48
0.284
MAR-TRE-92684b97-13
0.284
MAR-TRE-be9ff7d2-56
0.284