Molecular Properties | |
SMILES: | O=C(CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)Nc1cccnc1 |
MW: | 346.07 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 117.26 |
cLogP: | 0.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-2fd8122f-17
0.610
MAR-TRE-2fd8122f-2
0.543
MAR-TRE-7f7bb9f0-49
0.398
MAR-TRE-b77b7921-81
0.390
ALE-HEI-f28a35b5-14
0.390
MAR-TRE-b77b7921-83
0.387
MAR-TRE-b77b7921-17
0.379
MAR-TRE-2fd8122f-27
0.375
TAM-UNI-c140e31a-13
0.375
MAR-TRE-67513f76-81
0.375
MAR-TRE-9c797165-38
0.372
CHR-SOS-70e4c98a-11
0.370
TAM-UNI-c140e31a-7
0.367
MAR-TRE-d0525fbf-33
0.367
SAN-PRS-52b81272-2
0.367
MAR-TRE-3e4e6814-62
0.367
MAR-TRE-3e4e6814-67
0.367
MAR-TRE-2fd8122f-76
0.366
MAR-TRE-67513f76-92
0.366
MAK-UNK-ca11b4f7-1
0.365
JOH-IMS-62aeb97d-5
0.365
MAR-TRE-b77b7921-74
0.363
MAR-TRE-7f7bb9f0-12
0.361
MAR-TRE-67513f76-93
0.360
MAR-TRE-04c86cea-7
0.358
MED-UNK-e6e8ef8a-6
0.357
MAR-TRE-3e4e6814-49
0.355
MAR-TRE-74c6519b-17
0.355
MAK-UNK-a7b37c5e-5
0.354
TAM-UNI-c140e31a-12
0.354
MAR-TRE-04c86cea-81
0.352
CHA-MCP-85291e1d-4
0.352
MAR-TRE-74c6519b-68
0.351
TAM-UNI-c140e31a-6
0.350
TAM-UNI-c140e31a-14
0.350
CHA-MCP-85291e1d-2
0.348
MAR-TRE-04c86cea-97
0.348
MAR-TRE-2fd8122f-98
0.348
CHR-SOS-70e4c98a-2
0.347
SAD-SAT-24589cd1-4
0.346
MAR-TRE-2fd8122f-81
0.345
CHA-MCP-85291e1d-5
0.344
CHR-SOS-70e4c98a-5
0.344
CHR-SOS-e960e883-3
0.344
CHR-SOS-e960e883-1
0.343
TAM-UNI-c140e31a-1
0.343
MAR-TRE-2fd8122f-95
0.343
MAK-UNK-a7b37c5e-4
0.341
EDG-MED-0da5ad92-2
0.341
DAR-DIA-842b4336-12
0.341
CHR-SOS-f7373dd1-2
0.341
MAR-TRE-2fd8122f-78
0.341
MAR-TRE-2fd8122f-60
0.341
MAR-TRE-74c6519b-91
0.341
PET-SGC-d0156db4-2
0.340
MAR-TRE-f6f5f473-79
0.340
CHR-SOS-70e4c98a-7
0.340
MAR-TRE-7f7bb9f0-8
0.340
MAR-TRE-74c6519b-56
0.340
CHR-SOS-54d5cf3e-8
0.340
KEI-TRE-d5e2018a-88
0.340
MAR-TRE-7f7bb9f0-46
0.337
MAR-TRE-4f781e27-92
0.337
MAR-TRE-2fd8122f-37
0.337
MAR-TRE-b77b7921-91
0.337
MAR-TRE-74c6519b-42
0.337
MAR-TRE-2fd8122f-82
0.337
WIL-UNI-1faa9b10-8
0.337
CHR-SOS-e960e883-2
0.337
KEI-TRE-d5e2018a-95
0.337
MAR-TRE-d0525fbf-92
0.337
SER-UNI-985a0e14-1
0.336
KEI-TRE-d5e2018a-92
0.333
ALB-THE-e2bfce8e-1
0.333
MAR-TRE-9c797165-14
0.333
CHR-SOS-f7373dd1-5
0.333
CHR-SOS-70e4c98a-9
0.333
MAR-TRE-9c797165-47
0.333
MAR-TRE-b77b7921-66
0.330
KEI-TRE-d5e2018a-78
0.330
MAK-UNK-b2c98f02-6
0.330
MAR-TRE-f6f5f473-75
0.330
MAR-TRE-7f7bb9f0-97
0.330
TAM-UNI-c140e31a-10
0.330
MAR-TRE-9c797165-52
0.330
MAR-TRE-67513f76-87
0.330
CHR-SOS-f7373dd1-1
0.330
CHR-SOS-59746812-1
0.330
DAR-DIA-842b4336-14
0.330
MAR-TRE-7f7bb9f0-56
0.330
DAR-DIA-23aa0b97-16
0.329
MAK-UNK-a7b37c5e-1
0.329
ALE-HEI-f28a35b5-9
0.329
FRA-FAC-9ed5a63a-1
0.329
AAR-POS-d2a4d1df-13
0.329
KEI-TRE-d5e2018a-75
0.327
CHR-SOS-70e4c98a-4
0.327
MAR-TRE-2fd8122f-5
0.327
MAR-TRE-7f7bb9f0-15
0.327
MAK-UNK-009ebe36-2
0.327