Molecular Properties | |
SMILES: | C[C@@H]1Sc2ccc(S(=O)(=O)CCC(=O)Nc3cccnc3)cc2NC1=O |
MW: | 391.07 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.23 |
cLogP: | 2.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-7
0.747
MAR-TRE-d0525fbf-33
0.511
MAR-LAB-ff9967db-16
0.462
MAR-TRE-b77b7921-66
0.457
MAR-TRE-04c86cea-97
0.407
MAR-TRE-2fd8122f-83
0.379
KEI-TRE-d5e2018a-92
0.360
MAR-TRE-4b834d9a-77
0.359
MAT-POS-b5746674-53
0.357
MAR-TRE-2fd8122f-72
0.354
ALE-HEI-f28a35b5-14
0.353
MAR-TRE-7f7bb9f0-46
0.351
CHA-MCP-85291e1d-4
0.351
MAR-TRE-3e4e6814-50
0.347
MAR-TRE-2fd8122f-98
0.347
MAR-TRE-2fd8122f-17
0.346
JOH-IMS-62aeb97d-5
0.346
MAR-TRE-2fd8122f-2
0.343
KEI-TRE-d5e2018a-4
0.340
MAR-TRE-67513f76-81
0.338
MAR-TRE-2fd8122f-37
0.337
MAK-UNK-c749d764-23
0.337
MAR-TRE-d0525fbf-92
0.336
KEI-TRE-d5e2018a-95
0.336
MAR-TRE-b77b7921-83
0.336
MAR-LAB-ff9967db-32
0.336
DAR-DIA-842b4336-10
0.333
SAN-PRS-52b81272-2
0.333
CHA-MCP-85291e1d-2
0.333
CHR-SOS-70e4c98a-5
0.330
MAR-TRE-3e4e6814-47
0.330
MED-UNK-e6e8ef8a-4
0.330
MAK-UNK-c749d764-17
0.330
SAD-SAT-24589cd1-4
0.330
MAK-UNK-ca11b4f7-1
0.329
KEI-TRE-d5e2018a-88
0.327
MAR-TRE-74c6519b-56
0.327
MAR-TRE-7f7bb9f0-82
0.327
MAR-TRE-3e4e6814-59
0.327
CHR-SOS-70e4c98a-11
0.327
KEI-TRE-d5e2018a-89
0.327
DAR-DIA-842b4336-12
0.326
ALE-HEI-f28a35b5-5
0.326
DAR-DIA-842b4336-13
0.326
MED-UNK-e6e8ef8a-6
0.326
MAR-TRE-2fd8122f-27
0.326
MAR-LAB-ff9967db-9
0.324
MAR-TRE-2fd8122f-20
0.324
MED-UNK-e6e8ef8a-3
0.323
MAK-UNK-a7b37c5e-5
0.322
MAR-TRE-3e4e6814-80
0.322
MAR-TRE-04c86cea-96
0.321
MAR-TRE-2fd8122f-94
0.321
MAR-TRE-4b834d9a-16
0.320
KEI-TRE-d5e2018a-7
0.320
MAR-TRE-9c797165-57
0.320
MAK-UNK-c749d764-27
0.319
MAR-TRE-7f7bb9f0-30
0.318
MAR-TRE-9c797165-95
0.318
KEI-TRE-d5e2018a-84
0.318
MAR-TRE-2fd8122f-80
0.318
MAR-TRE-7f7bb9f0-38
0.318
MAR-TRE-9c797165-38
0.317
CHR-SOS-e960e883-3
0.317
MAR-TRE-f6f5f473-46
0.317
MAR-TRE-67513f76-87
0.316
CHA-MCP-85291e1d-5
0.316
MAR-TRE-b77b7921-81
0.316
DAR-DIA-842b4336-14
0.316
KEI-TRE-d5e2018a-75
0.315
DAR-DIA-23aa0b97-16
0.315
MAK-UNK-a7b37c5e-1
0.315
MAR-TRE-7f7bb9f0-15
0.315
MAR-TRE-2fd8122f-93
0.315
CHR-SOS-70e4c98a-7
0.314
SAD-SAT-f25ee457-7
0.314
KEI-TRE-d5e2018a-54
0.314
MAR-TRE-04c86cea-87
0.314
MAR-TRE-9c797165-12
0.314
MAR-TRE-b77b7921-80
0.314
MAR-TRE-9c797165-48
0.314
PET-SGC-d0156db4-2
0.314
MAR-TRE-d0525fbf-75
0.314
MAR-TRE-67513f76-13
0.313
MAR-TRE-2fd8122f-58
0.313
HAR-NEW-e34cb1ae-7
0.312
MAR-TRE-2fd8122f-35
0.312
MAR-TRE-2fd8122f-78
0.312
MAR-TRE-2fd8122f-100
0.312
KEI-TRE-d5e2018a-2
0.312
EDG-MED-0da5ad92-2
0.312
DAR-DIA-842b4336-11
0.312
CHR-SOS-e960e883-2
0.311
MAR-TRE-67513f76-97
0.311
MAK-UNK-a7b37c5e-4
0.311
MAR-TRE-74c6519b-42
0.311
KEI-TRE-d5e2018a-63
0.310
MAR-TRE-3e4e6814-67
0.310
MAR-TRE-74c6519b-54
0.310
MAR-TRE-b77b7921-91
0.310