Molecular Properties | |
SMILES: | Cc1cc(C)n(-c2nc(CC(=O)Nc3cccnc3)cs2)n1 |
MW: | 313.1 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3722092445 |
MolPort: | MolPort-007-710-484 |
MAR-TRE-67513f76-69
0.720
MAR-TRE-2fd8122f-99
0.532
KEI-TRE-d5e2018a-26
0.471
MAR-TRE-2fd8122f-26
0.467
MAR-TRE-4b834d9a-59
0.460
MAR-TRE-9c797165-14
0.459
MAR-TRE-2fd8122f-66
0.451
MAR-TRE-2fd8122f-23
0.449
MAR-TRE-2fd8122f-53
0.440
DAR-DIA-842b4336-12
0.429
ALE-HEI-f28a35b5-5
0.429
SAN-PRS-52b81272-2
0.425
DAR-DIA-842b4336-16
0.423
MAR-TRE-67513f76-13
0.422
DAR-DIA-842b4336-10
0.421
MAK-UNK-a7b37c5e-4
0.413
DAR-DIA-842b4336-11
0.410
MAK-UNK-a7b37c5e-5
0.408
JOH-IMS-62aeb97d-5
0.406
MAK-UNK-ca11b4f7-1
0.406
SAD-SAT-24589cd1-4
0.400
MAR-TRE-9c797165-94
0.400
MAK-UNK-c749d764-27
0.400
MAK-UNK-c749d764-17
0.397
DAR-DIA-23aa0b97-16
0.397
MAR-TRE-67513f76-81
0.397
CHA-MCP-85291e1d-1
0.395
EDG-MED-0da5ad92-2
0.392
DAR-DIA-842b4336-13
0.392
MAR-TRE-3e4e6814-79
0.391
KAL-WAB-eb347ebe-1
0.386
DAR-DIA-23aa0b97-17
0.386
ANN-UNI-26382800-5
0.386
MAR-TRE-2fd8122f-37
0.384
MAR-TRE-7f7bb9f0-49
0.383
MAK-UNK-a7b37c5e-1
0.380
DAR-DIA-842b4336-14
0.378
MAR-TRE-2fd8122f-46
0.372
MAR-TRE-d0525fbf-64
0.371
MAK-UNK-a7b37c5e-2
0.370
MED-UNK-e6e8ef8a-3
0.370
MAR-TRE-67513f76-73
0.369
DAR-DIA-842b4336-15
0.369
MAK-UNK-c749d764-23
0.368
CHA-MCP-85291e1d-2
0.365
MAR-TRE-7f7bb9f0-76
0.365
MAR-TRE-4b834d9a-96
0.363
MAR-TRE-2fd8122f-32
0.363
FRA-FAC-9ed5a63a-1
0.362
ALE-HEI-f28a35b5-9
0.362
AAR-POS-d2a4d1df-13
0.362
MAR-TRE-67513f76-35
0.362
MAR-TRE-67513f76-93
0.361
MAR-TRE-9c797165-22
0.361
MAK-UNK-c749d764-14
0.360
CHA-MCP-85291e1d-5
0.360
KEI-TRE-d5e2018a-45
0.360
MAR-TRE-f6f5f473-95
0.359
ALE-HEI-f28a35b5-14
0.355
MAR-TRE-f6f5f473-85
0.354
MAK-UNK-ca11b4f7-3
0.352
MAR-TRE-67513f76-92
0.352
MAR-TRE-67513f76-55
0.352
DAR-DIA-842b4336-1
0.351
MAR-TRE-b77b7921-39
0.351
MAR-TRE-04c86cea-41
0.347
MAR-TRE-74c6519b-19
0.346
MED-UNK-e6e8ef8a-4
0.345
MAK-UNK-c749d764-13
0.345
MAR-TRE-9c797165-52
0.345
MAR-TRE-2fd8122f-2
0.344
KEI-TRE-d5e2018a-14
0.344
MAR-TRE-2fd8122f-39
0.344
DAR-DIA-842b4336-7
0.341
MED-UNK-e6e8ef8a-6
0.341
MAR-TRE-2fd8122f-78
0.341
MAR-TRE-d0525fbf-91
0.341
MAR-TRE-74c6519b-55
0.341
MAR-TRE-9c797165-60
0.341
MAR-TRE-7f7bb9f0-53
0.340
AUS-ARG-7cfdce8f-11
0.338
FRA-FAC-9ed5a63a-2
0.337
MED-UNK-e6e8ef8a-2
0.337
MAR-TRE-3e4e6814-62
0.337
MAR-TRE-3e4e6814-67
0.337
DUN-NEW-f8ce3686-9
0.337
MAK-UNK-d1e89583-7
0.333
MAR-TRE-2fd8122f-98
0.333
MAR-TRE-b77b7921-74
0.333
AAR-POS-d2a4d1df-11
0.333
KEI-TRE-d5e2018a-67
0.333
MAR-TRE-7f7bb9f0-90
0.333
MAR-TRE-9c797165-57
0.333
MAR-TRE-3e4e6814-50
0.333
CHR-SOS-f7373dd1-6
0.333
CHR-SOS-59746812-3
0.333
MAR-TRE-04c86cea-96
0.333
MAR-TRE-2fd8122f-94
0.333
KEI-TRE-d5e2018a-68
0.333
MAR-TRE-f6f5f473-71
0.330