Molecular Properties | |
SMILES: | CC[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccnc3)cc2NC1=O |
MW: | 405.08 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 105.23 |
cLogP: | 2.71 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-b77b7921-17
0.747
MAR-TRE-d0525fbf-33
0.500
MAR-TRE-b77b7921-66
0.435
MAR-TRE-04c86cea-97
0.413
CHA-MCP-85291e1d-2
0.368
MAR-TRE-4b834d9a-77
0.365
MAR-TRE-2fd8122f-83
0.358
CHA-MCP-85291e1d-4
0.357
MAR-TRE-2fd8122f-20
0.355
JOH-IMS-62aeb97d-5
0.354
KEI-TRE-d5e2018a-92
0.353
MAR-TRE-2fd8122f-72
0.347
ALE-HEI-f28a35b5-14
0.345
MAR-TRE-d0525fbf-92
0.343
KEI-TRE-d5e2018a-95
0.343
SAN-PRS-52b81272-2
0.341
MAR-TRE-3e4e6814-50
0.340
CHA-MCP-85291e1d-5
0.337
MAR-TRE-3e4e6814-47
0.337
KEI-TRE-d5e2018a-84
0.336
EDG-MED-0da5ad92-2
0.333
MAR-TRE-74c6519b-56
0.333
KEI-TRE-d5e2018a-88
0.333
MAR-LAB-ff9967db-16
0.331
MAR-TRE-2fd8122f-37
0.330
MAK-UNK-a7b37c5e-5
0.330
MAR-TRE-67513f76-81
0.329
MAR-TRE-3e4e6814-80
0.328
MAR-TRE-2fd8122f-17
0.327
MAR-TRE-4b834d9a-16
0.327
KEI-TRE-d5e2018a-7
0.327
MAR-TRE-9c797165-57
0.327
MAR-TRE-2fd8122f-98
0.327
MAR-TRE-2fd8122f-80
0.324
MAR-TRE-2fd8122f-2
0.324
MAK-UNK-c749d764-17
0.323
SAD-SAT-24589cd1-4
0.322
MAK-UNK-ca11b4f7-1
0.321
KEI-TRE-d5e2018a-75
0.321
MAR-TRE-7f7bb9f0-82
0.321
KEI-TRE-d5e2018a-4
0.321
MAR-TRE-3e4e6814-59
0.320
PET-SGC-d0156db4-2
0.320
KEI-TRE-d5e2018a-89
0.320
MAR-TRE-2fd8122f-58
0.320
DAR-DIA-842b4336-12
0.319
ALE-HEI-f28a35b5-5
0.319
MED-UNK-e6e8ef8a-6
0.319
DAR-DIA-842b4336-13
0.319
MAR-TRE-2fd8122f-27
0.319
MAK-UNK-a7b37c5e-4
0.319
MAR-TRE-67513f76-97
0.318
MAR-TRE-74c6519b-42
0.317
MAK-UNK-c749d764-23
0.317
ANN-UNI-26382800-5
0.316
MAR-TRE-7f7bb9f0-46
0.316
KEI-TRE-d5e2018a-50
0.316
JOH-UNK-14e6adc5-1
0.316
MED-UNK-e6e8ef8a-3
0.316
KEI-TRE-d5e2018a-33
0.316
MAR-TRE-04c86cea-96
0.315
KEI-TRE-d5e2018a-64
0.315
MAR-TRE-04c86cea-38
0.315
CHA-MCP-85291e1d-1
0.314
KEI-TRE-d5e2018a-39
0.313
MAR-TRE-7f7bb9f0-30
0.312
TAM-UNI-c140e31a-1
0.312
MAR-TRE-7f7bb9f0-49
0.312
KEI-TRE-d5e2018a-87
0.312
CHR-SOS-e960e883-1
0.312
DAR-DIA-842b4336-10
0.312
CHR-SOS-e960e883-3
0.311
CHR-SOS-70e4c98a-5
0.311
MAR-TRE-2fd8122f-39
0.311
MAR-TRE-9c797165-38
0.311
KEI-TRE-d5e2018a-93
0.310
DAR-DIA-842b4336-14
0.309
MED-UNK-e6e8ef8a-4
0.309
MAR-TRE-2fd8122f-93
0.309
AAR-POS-d2a4d1df-13
0.309
ALE-HEI-f28a35b5-9
0.309
FRA-FAC-9ed5a63a-1
0.309
DAR-DIA-23aa0b97-16
0.309
SAD-SAT-f25ee457-7
0.308
KEI-TRE-d5e2018a-54
0.308
MAR-TRE-3e4e6814-100
0.308
MAR-TRE-b77b7921-83
0.308
CHR-SOS-70e4c98a-11
0.308
MAR-TRE-9c797165-48
0.308
MAR-TRE-b77b7921-80
0.308
MAR-TRE-9c797165-12
0.308
MAR-TRE-4b834d9a-79
0.307
MAR-TRE-2fd8122f-35
0.307
HAR-NEW-e34cb1ae-7
0.307
KEI-TRE-d5e2018a-59
0.307
MAR-TRE-67513f76-13
0.307
MAR-TRE-2fd8122f-99
0.307
KEI-TRE-d5e2018a-2
0.306
MAR-TRE-2fd8122f-78
0.306
CHR-SOS-e960e883-2
0.306