Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)CCC(=O)Nc3cccnc3)ccc21 |
MW: | 402.1 |
Fraction sp3: | 0.22 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 120.13 |
cLogP: | 0.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
MAR-TRE-b77b7921-17
0.511
MAR-TRE-04c86cea-7
0.500
MAR-TRE-b77b7921-66
0.495
MAR-TRE-04c86cea-97
0.429
ALE-HEI-f28a35b5-14
0.408
MAR-TRE-2fd8122f-72
0.400
MAR-TRE-9c797165-95
0.398
MAR-TRE-4b834d9a-31
0.398
MAR-TRE-74c6519b-42
0.396
MAR-TRE-9c797165-21
0.396
MAR-TRE-d0525fbf-45
0.394
MAR-TRE-2fd8122f-100
0.390
MAR-TRE-2fd8122f-62
0.389
TAM-UNI-c140e31a-13
0.389
MAR-TRE-9c797165-60
0.385
JOH-IMS-62aeb97d-5
0.384
CHA-MCP-85291e1d-4
0.382
MAR-TRE-2fd8122f-37
0.382
TAM-UNI-c140e31a-7
0.381
MAR-TRE-9c797165-87
0.381
MAR-TRE-3e4e6814-50
0.379
MAR-TRE-2fd8122f-98
0.378
KEI-TRE-d5e2018a-68
0.376
MAR-TRE-9c797165-57
0.376
MAR-TRE-2fd8122f-17
0.375
MAR-TRE-9c797165-52
0.375
MAR-TRE-67513f76-81
0.375
DAR-DIA-842b4336-11
0.373
MAR-TRE-b77b7921-52
0.372
MAR-TRE-3e4e6814-61
0.372
MAR-TRE-2fd8122f-78
0.372
MAR-TRE-67513f76-73
0.368
MAR-TRE-2fd8122f-83
0.367
TAM-UNI-c140e31a-12
0.367
MAR-TRE-67513f76-55
0.366
MAK-UNK-ca11b4f7-1
0.365
BEN-DND-362d364a-10
0.364
TAM-UNI-c140e31a-14
0.364
KEI-TRE-d5e2018a-92
0.362
MAR-TRE-b77b7921-83
0.361
CHR-SOS-70e4c98a-2
0.361
MAR-TRE-4b834d9a-97
0.361
MAR-TRE-74c6519b-58
0.359
MAR-TRE-3e4e6814-80
0.358
CHR-SOS-70e4c98a-5
0.358
MAR-TRE-3e4e6814-65
0.358
MAR-TRE-2fd8122f-80
0.357
MED-UNK-e6e8ef8a-6
0.357
TAM-UNI-c140e31a-1
0.356
MAR-TRE-d0525fbf-64
0.355
CHR-SOS-70e4c98a-11
0.355
MAK-UNK-009ebe36-2
0.354
MAR-TRE-3e4e6814-66
0.354
MAR-TRE-3e4e6814-100
0.354
KEI-TRE-d5e2018a-88
0.354
MAR-TRE-74c6519b-56
0.354
MAR-TRE-2fd8122f-93
0.354
MAR-TRE-b77b7921-81
0.352
MAR-TRE-b77b7921-91
0.352
MAK-UNK-ca11b4f7-3
0.351
MAR-TRE-3e4e6814-28
0.351
MAR-TRE-67513f76-92
0.351
SAN-PRS-52b81272-2
0.350
TAM-UNI-c140e31a-6
0.350
CHA-MCP-85291e1d-2
0.348
MAR-TRE-4b834d9a-96
0.347
KEI-TRE-d5e2018a-65
0.347
MAR-TRE-04c86cea-38
0.347
MAR-TRE-b77b7921-78
0.347
KEI-TRE-d5e2018a-18
0.346
KEI-TRE-d5e2018a-50
0.346
ALE-HEI-f28a35b5-9
0.345
AAR-POS-d2a4d1df-13
0.345
FRA-FAC-9ed5a63a-1
0.345
MAR-TRE-2fd8122f-2
0.344
MAR-TRE-7f7bb9f0-30
0.343
KEI-TRE-d5e2018a-78
0.343
ALE-HEI-f28a35b5-5
0.341
DAR-DIA-842b4336-12
0.341
MAR-TRE-67513f76-13
0.341
MAR-TRE-2fd8122f-58
0.341
KEI-TRE-d5e2018a-74
0.340
PET-SGC-d0156db4-2
0.340
MAR-TRE-7f7bb9f0-33
0.340
MAR-TRE-9c797165-48
0.340
KEI-TRE-d5e2018a-54
0.340
KEI-TRE-d5e2018a-4
0.340
MAR-TRE-fd17a9b8-39
0.340
MAR-TRE-7f7bb9f0-53
0.340
MAR-TRE-7f7bb9f0-15
0.340
MAR-TRE-4b834d9a-82
0.340
KEI-TRE-d5e2018a-75
0.340
MAR-TRE-9c797165-31
0.340
AUS-ARG-7cfdce8f-11
0.337
MED-UNK-e6e8ef8a-3
0.337
MAR-TRE-67513f76-97
0.337
KEI-TRE-d5e2018a-95
0.337
MAR-TRE-d0525fbf-92
0.337
KEI-TRE-d5e2018a-1
0.333
MAR-TRE-4b834d9a-16
0.333