Molecular Properties | |
SMILES: | CC(C)SCc1cccc(CC(=O)Nc2cccnc2)c1O |
MW: | 316.12 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 62.22 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-c749d764-17
0.672
MAK-UNK-c749d764-14
0.618
MAK-UNK-c749d764-27
0.591
MAK-UNK-c749d764-13
0.528
MAK-UNK-a7b37c5e-1
0.522
SAN-PRS-52b81272-2
0.470
MAR-TRE-67513f76-81
0.467
MAK-UNK-a7b37c5e-2
0.465
SAD-SAT-24589cd1-4
0.463
MAK-UNK-a7b37c5e-4
0.456
JOH-IMS-62aeb97d-5
0.452
EDG-MED-0da5ad92-2
0.451
DAR-DIA-842b4336-13
0.451
DAR-DIA-842b4336-11
0.451
MAK-UNK-a7b37c5e-5
0.449
DAR-DIA-842b4336-10
0.443
KAL-WAB-eb347ebe-1
0.440
DAR-DIA-23aa0b97-16
0.437
DAR-DIA-842b4336-12
0.431
ALE-HEI-f28a35b5-5
0.431
MAK-UNK-ca11b4f7-1
0.429
DAR-DIA-842b4336-16
0.425
ANN-UNI-26382800-5
0.421
MAR-TRE-7f7bb9f0-49
0.419
CHA-MCP-85291e1d-2
0.416
MED-UNK-e6e8ef8a-4
0.413
CHA-MCP-85291e1d-1
0.412
ALE-HEI-f28a35b5-14
0.412
CHA-MCP-85291e1d-5
0.410
MAR-TRE-d0525fbf-91
0.408
MAR-TRE-74c6519b-55
0.405
DAR-DIA-23aa0b97-17
0.403
MAR-TRE-74c6519b-47
0.403
CHR-SOS-f7373dd1-5
0.400
MAD-FNM-74857450-1
0.398
MAR-TRE-67513f76-93
0.395
DAR-DIA-842b4336-14
0.395
MED-UNK-e6e8ef8a-5
0.392
MED-UNK-e6e8ef8a-6
0.392
MAR-TRE-04c86cea-41
0.391
CHR-SOS-f7373dd1-2
0.390
AUS-ARG-7cfdce8f-11
0.389
MAR-TRE-f6f5f473-95
0.388
MAR-TRE-67513f76-13
0.388
MED-UNK-e6e8ef8a-3
0.387
DAR-DIA-842b4336-15
0.385
MAR-TRE-67513f76-73
0.385
MAR-TRE-2fd8122f-37
0.383
MAR-TRE-9c797165-94
0.383
MAR-TRE-3e4e6814-8
0.381
FRA-FAC-9ed5a63a-1
0.378
AAR-POS-d2a4d1df-13
0.378
ALE-HEI-f28a35b5-9
0.378
DUN-NEW-f8ce3686-9
0.378
MAR-TRE-b77b7921-39
0.378
MAR-TRE-2fd8122f-39
0.372
MAR-TRE-2fd8122f-57
0.372
MAR-TRE-74c6519b-19
0.371
MAR-TRE-2fd8122f-46
0.371
MAR-TRE-2fd8122f-99
0.370
MAK-UNK-ca11b4f7-3
0.369
MAR-TRE-d0525fbf-64
0.369
FRA-FAC-9ed5a63a-2
0.368
MED-UNK-e6e8ef8a-2
0.368
MAR-TRE-67513f76-22
0.368
KEI-TRE-d5e2018a-4
0.368
CHR-SOS-59746812-2
0.367
MAR-TRE-74c6519b-54
0.366
MAR-TRE-7f7bb9f0-74
0.364
THO-SYG-f9b2970d-1
0.364
CHR-SOS-59746812-6
0.362
SAD-SAT-689b7d5a-4
0.362
MAR-TRE-7f7bb9f0-90
0.362
MAR-TRE-3e4e6814-50
0.362
MAR-TRE-9c797165-8
0.361
MAR-TRE-9c797165-14
0.360
MAK-UNK-c749d764-9
0.360
JOH-IMS-62aeb97d-2
0.360
MAR-TRE-3e4e6814-79
0.360
MAR-TRE-7f7bb9f0-56
0.359
CHR-SOS-59746812-1
0.358
MAR-TRE-9c797165-52
0.358
MAR-TRE-2fd8122f-2
0.357
TAM-UNI-c140e31a-10
0.357
KEI-TRE-d5e2018a-45
0.357
THO-SYG-f9b2970d-2
0.356
MAK-UNK-d1e89583-1
0.356
MAR-TRE-67513f76-69
0.356
MAR-TRE-04c86cea-64
0.356
MED-UNK-e6e8ef8a-1
0.355
CHR-SOS-70e4c98a-6
0.354
CHR-SOS-59746812-5
0.354
IAN-BAS-df1706d7-1
0.354
BAR-COM-5694a99d-4
0.353
PET-SGC-d0156db4-2
0.353
MAK-UNK-c749d764-7
0.353
MAR-TRE-7f7bb9f0-82
0.352
MAR-TRE-f6f5f473-85
0.352
CHR-SOS-f7373dd1-4
0.350
WIL-UNI-5578df48-15
0.350