Molecular Properties | |
SMILES: | O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1 |
MW: | 304.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 76.13 |
cLogP: | 2.03 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8973713602 |
MolPort: | MolPort-000-116-811 |
SAN-PRS-52b81272-2
0.541
AUS-ARG-7cfdce8f-11
0.492
ALE-HEI-f28a35b5-14
0.476
CHA-MCP-85291e1d-4
0.473
CHA-MCP-85291e1d-5
0.466
MAR-TRE-67513f76-81
0.466
MAR-TRE-74c6519b-47
0.458
CHA-MCP-85291e1d-2
0.452
MAK-UNK-ca11b4f7-1
0.450
JOH-IMS-62aeb97d-5
0.450
EDG-MED-0da5ad92-2
0.449
CHR-SOS-59746812-1
0.446
CHR-SOS-59746812-5
0.440
ANN-UNI-26382800-5
0.438
MAR-TRE-3e4e6814-50
0.432
MAR-TRE-d0525fbf-33
0.429
AAR-POS-d2a4d1df-11
0.429
MAR-TRE-74c6519b-58
0.423
WIL-UNI-5578df48-3
0.419
SAD-SAT-24589cd1-4
0.418
MAR-TRE-2fd8122f-72
0.418
MAK-UNK-b2c98f02-6
0.417
DAR-DIA-23aa0b97-16
0.414
MAR-TRE-04c86cea-7
0.413
MAR-TRE-74c6519b-42
0.412
MAK-UNK-a7b37c5e-4
0.412
WIL-UNI-5578df48-2
0.409
MAR-TRE-67513f76-87
0.408
KEI-TRE-d5e2018a-68
0.407
MAR-TRE-b77b7921-17
0.407
MAK-UNK-a7b37c5e-5
0.406
MAR-TRE-d0525fbf-91
0.405
CHR-SOS-70e4c98a-6
0.405
TAM-UNI-c140e31a-10
0.405
SAN-PRS-52b81272-3
0.403
MAK-UNK-a7b37c5e-2
0.403
MAK-UNK-b2c98f02-9
0.402
DAR-DIA-842b4336-10
0.400
CHR-SOS-f7373dd1-4
0.400
KEI-TRE-d5e2018a-89
0.400
NAU-LAT-445f63e5-1
0.400
MAR-TRE-3e4e6814-100
0.398
MAR-TRE-2fd8122f-37
0.397
CHR-SOS-70e4c98a-8
0.395
MAK-UNK-a7b37c5e-1
0.394
MAK-UNK-c749d764-17
0.394
MAK-UNK-b2c98f02-7
0.393
MAR-TRE-67513f76-97
0.393
MAR-TRE-2fd8122f-98
0.392
CHA-MCP-85291e1d-1
0.392
MAK-UNK-b2c98f02-8
0.391
KEI-TRE-d5e2018a-92
0.390
CHR-SOS-f7373dd1-1
0.390
ALE-HEI-f28a35b5-5
0.389
DAR-DIA-842b4336-11
0.389
ANT-DIA-3c79be55-4
0.387
MAR-TRE-2fd8122f-78
0.387
KEI-TRE-d5e2018a-64
0.386
MAR-TRE-3e4e6814-61
0.386
CHR-SOS-70e4c98a-3
0.385
ASH-UNK-40b46b30-3
0.385
MED-UNK-e6e8ef8a-2
0.384
FRA-FAC-9ed5a63a-2
0.384
MAR-TRE-b77b7921-80
0.383
MAR-TRE-9c797165-12
0.383
MAR-TRE-9c797165-48
0.383
KEI-TRE-d5e2018a-87
0.382
CHR-SOS-59746812-2
0.382
DAR-DIA-23aa0b97-17
0.382
MAR-TRE-b77b7921-66
0.379
CHR-SOS-f7373dd1-5
0.378
MAK-UNK-c749d764-27
0.378
MAR-TRE-7f7bb9f0-49
0.378
KEI-TRE-d5e2018a-93
0.378
CHR-SOS-59746812-6
0.377
JOH-UNK-14e6adc5-3
0.376
CHR-SOS-70e4c98a-1
0.375
ALE-HEI-f28a35b5-9
0.375
MAR-TRE-9c797165-8
0.375
AAR-POS-d2a4d1df-13
0.375
FRA-FAC-9ed5a63a-1
0.375
KEI-TRE-d5e2018a-59
0.374
MAR-TRE-4b834d9a-79
0.374
MAR-TRE-9c797165-57
0.373
ERI-UCB-ce40166b-23
0.372
EMI-TUK-a58865cc-5
0.372
MAR-TRE-9c797165-52
0.372
MAK-UNK-b2c98f02-5
0.371
MAR-TRE-2fd8122f-2
0.370
MED-UNK-e6e8ef8a-5
0.370
MED-UNK-e6e8ef8a-6
0.370
DAR-DIA-842b4336-13
0.370
DAR-DIA-842b4336-12
0.370
JOH-UNK-14e6adc5-1
0.370
KEI-TRE-d5e2018a-46
0.370
MAR-TRE-04c86cea-93
0.369
MAR-TRE-f6f5f473-95
0.369
MAR-TRE-2fd8122f-39
0.369
CHR-SOS-f7373dd1-2
0.368
MAR-TRE-2fd8122f-57
0.368