Molecular Properties | |
SMILES: | CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1 |
MW: | 347.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.44 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z271392654 |
Ketone
Hetero_hetero
MAR-TRE-b77b7921-40
0.511
MAR-TRE-4b834d9a-16
0.494
KEI-TRE-d5e2018a-7
0.494
KEI-TRE-d5e2018a-89
0.450
KEI-TRE-d5e2018a-84
0.447
KEI-TRE-d5e2018a-50
0.444
JOH-IMS-62aeb97d-5
0.444
MAR-TRE-74c6519b-56
0.442
KEI-TRE-d5e2018a-88
0.442
KEI-TRE-d5e2018a-75
0.438
MAR-TRE-d0525fbf-92
0.437
KEI-TRE-d5e2018a-95
0.437
MAR-TRE-67513f76-81
0.435
KEI-TRE-d5e2018a-59
0.433
KEI-TRE-d5e2018a-64
0.432
KEI-TRE-d5e2018a-4
0.429
KEI-TRE-d5e2018a-54
0.429
KEI-TRE-d5e2018a-87
0.427
KEI-TRE-d5e2018a-93
0.422
MAK-UNK-ca11b4f7-1
0.422
MAR-TRE-4b834d9a-79
0.418
KEI-TRE-d5e2018a-18
0.413
KEI-TRE-d5e2018a-33
0.413
MAR-TRE-7f7bb9f0-6
0.412
CHA-MCP-85291e1d-2
0.410
KEI-TRE-d5e2018a-39
0.409
KEI-TRE-d5e2018a-78
0.409
KEI-TRE-d5e2018a-2
0.404
KEI-TRE-d5e2018a-65
0.402
SAN-PRS-52b81272-2
0.400
MAR-TRE-2fd8122f-58
0.400
KEI-TRE-d5e2018a-46
0.398
PET-SGC-d0156db4-2
0.398
MAR-TRE-2fd8122f-37
0.395
MAR-TRE-04c86cea-97
0.392
KEI-TRE-d5e2018a-31
0.390
CHA-MCP-85291e1d-5
0.388
MED-UNK-e6e8ef8a-6
0.387
EDG-MED-0da5ad92-2
0.387
ALE-HEI-f28a35b5-5
0.387
ALE-HEI-f28a35b5-14
0.386
MAR-TRE-2fd8122f-2
0.386
MAK-UNK-ca11b4f7-3
0.385
MAR-TRE-2fd8122f-78
0.385
CHR-SOS-70e4c98a-5
0.384
AUS-ARG-7cfdce8f-11
0.384
KEI-TRE-d5e2018a-97
0.382
FRA-FAC-9ed5a63a-2
0.382
MED-UNK-e6e8ef8a-3
0.382
MED-UNK-e6e8ef8a-2
0.382
KEI-TRE-d5e2018a-1
0.381
CHR-SOS-70e4c98a-11
0.381
CHA-MCP-85291e1d-4
0.378
TAM-UNI-c140e31a-7
0.378
MAR-TRE-d0525fbf-33
0.378
MAR-TRE-7f7bb9f0-49
0.377
ALE-MCD-4ac17b19-1
0.376
MAR-TRE-3e4e6814-50
0.375
SAD-SAT-24589cd1-4
0.375
CHA-MCP-85291e1d-1
0.373
DAR-DIA-23aa0b97-16
0.373
MAK-UNK-c749d764-17
0.373
MED-UNK-e6e8ef8a-4
0.372
TAM-UNI-c140e31a-13
0.371
KEI-TRE-d5e2018a-26
0.371
MAK-UNK-a7b37c5e-4
0.370
DAR-DIA-842b4336-11
0.368
DAR-DIA-842b4336-12
0.368
MAR-TRE-f6f5f473-75
0.368
CHR-SOS-e960e883-3
0.368
MAK-UNK-a7b37c5e-5
0.365
CHR-SOS-70e4c98a-7
0.364
DAR-DIA-842b4336-16
0.364
MAK-UNK-ca11b4f7-2
0.364
MAR-TRE-2fd8122f-4
0.363
TAM-UNI-c140e31a-12
0.363
CHR-SOS-59746812-2
0.362
ANN-UNI-26382800-5
0.362
MAR-TRE-7f7bb9f0-46
0.362
DAR-DIA-842b4336-10
0.360
CHR-SOS-e960e883-2
0.360
MAK-UNK-c749d764-27
0.359
MAR-TRE-7f7bb9f0-74
0.359
CHR-SOS-f7373dd1-5
0.359
TAM-UNI-c140e31a-6
0.359
TAM-UNI-c140e31a-14
0.359
CHR-SOS-59746812-6
0.358
MAR-TRE-7f7bb9f0-90
0.358
KEI-TRE-d5e2018a-92
0.356
MAR-TRE-2fd8122f-17
0.356
CHR-SOS-70e4c98a-9
0.356
CHR-SOS-70e4c98a-2
0.356
MAK-UNK-a7b37c5e-1
0.355
JOH-IMS-62aeb97d-2
0.355
MAR-TRE-2fd8122f-67
0.355
FRA-FAC-9ed5a63a-1
0.355
AAR-POS-d2a4d1df-13
0.355
ALE-HEI-f28a35b5-9
0.355
MAR-TRE-2fd8122f-1
0.355
DAR-DIA-842b4336-14
0.354