Molecular Properties | |
SMILES: | COc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2cccnc2)c(OC)c1 |
MW: | 357.17 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 89.55 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-7f7bb9f0-6
0.471
MAR-TRE-67513f76-81
0.424
MAR-TRE-3e4e6814-50
0.420
MAR-TRE-7f7bb9f0-90
0.420
MAR-TRE-67513f76-55
0.419
MAR-TRE-9c797165-52
0.415
AUS-ARG-7cfdce8f-11
0.413
KEI-TRE-d5e2018a-49
0.413
JOH-IMS-62aeb97d-5
0.412
KEI-TRE-d5e2018a-93
0.400
KEI-TRE-d5e2018a-67
0.396
MAR-TRE-3e4e6814-79
0.396
MAK-UNK-ca11b4f7-1
0.391
MAR-TRE-2fd8122f-45
0.386
KEI-TRE-d5e2018a-92
0.382
LON-WEI-adc59df6-45
0.379
MAR-TRE-d0525fbf-91
0.378
MAR-TRE-2fd8122f-47
0.378
MAR-TRE-2fd8122f-97
0.376
KEI-TRE-d5e2018a-84
0.376
DAR-DIA-842b4336-16
0.375
MAR-TRE-4b834d9a-73
0.374
KEI-TRE-d5e2018a-54
0.374
MAR-TRE-74c6519b-47
0.373
MAR-TRE-7f7bb9f0-49
0.370
KEI-TRE-d5e2018a-27
0.368
MAR-TRE-7f7bb9f0-16
0.368
DAR-DIA-23aa0b97-16
0.367
MAR-TRE-67513f76-93
0.366
MAR-TRE-74c6519b-63
0.365
KEI-TRE-d5e2018a-64
0.365
TAM-UNI-c140e31a-10
0.364
KEI-TRE-d5e2018a-14
0.364
MAK-UNK-a7b37c5e-4
0.364
KEI-TRE-d5e2018a-80
0.363
KEI-TRE-d5e2018a-34
0.363
MAR-TRE-2fd8122f-42
0.363
MAR-TRE-2fd8122f-50
0.363
MAR-TRE-2fd8122f-64
0.362
MAR-TRE-2fd8122f-57
0.361
KEI-TRE-d5e2018a-87
0.361
ALE-HEI-f28a35b5-14
0.360
MED-UNK-e6e8ef8a-3
0.358
KEI-TRE-d5e2018a-88
0.358
MAR-TRE-74c6519b-56
0.358
KEI-TRE-d5e2018a-75
0.357
MAR-TRE-67513f76-73
0.357
MAR-TRE-7f7bb9f0-46
0.357
MAR-TRE-3e4e6814-67
0.356
MAR-TRE-a78003aa-45
0.356
KEI-TRE-d5e2018a-72
0.356
SAN-PRS-52b81272-2
0.355
THO-SYG-f9b2970d-1
0.355
MAR-TRE-d0525fbf-92
0.354
KEI-TRE-d5e2018a-2
0.354
KEI-TRE-d5e2018a-95
0.354
MAR-TRE-4b834d9a-79
0.354
MAR-TRE-2fd8122f-35
0.354
AGN-NEW-891393a6-1
0.353
MAR-TRE-9c797165-8
0.352
SAD-SAT-24589cd1-4
0.351
MAK-UNK-c749d764-17
0.350
FRA-FAC-9ed5a63a-1
0.350
KEI-TRE-d5e2018a-33
0.350
AAR-POS-d2a4d1df-13
0.350
MAK-UNK-a7b37c5e-1
0.350
ALE-HEI-f28a35b5-9
0.350
MAR-TRE-74c6519b-19
0.350
MAR-TRE-2fd8122f-79
0.349
MED-UNK-e6e8ef8a-4
0.349
CHR-SOS-70e4c98a-5
0.348
MAR-TRE-9c797165-95
0.347
KEI-TRE-d5e2018a-39
0.347
MED-UNK-e6e8ef8a-6
0.346
EDG-MED-0da5ad92-2
0.346
DAR-DIA-842b4336-11
0.346
DAR-DIA-842b4336-12
0.346
ALE-HEI-f28a35b5-5
0.346
MED-UNK-e6e8ef8a-1
0.346
MED-UNK-e6e8ef8a-5
0.346
CHR-SOS-70e4c98a-6
0.345
NAU-LAT-64f4b287-10
0.345
MAR-TRE-b77b7921-85
0.344
MAR-TRE-3e4e6814-59
0.344
MAK-UNK-a7b37c5e-5
0.342
FRA-FAC-9ed5a63a-2
0.341
MED-UNK-e6e8ef8a-2
0.341
SAD-SAT-689b7d5a-8
0.341
MAK-UNK-c749d764-23
0.341
MAR-TRE-f6f5f473-73
0.341
SAD-SAT-689b7d5a-7
0.340
MAR-TRE-2fd8122f-75
0.340
MAR-TRE-2fd8122f-100
0.340
KEI-TRE-d5e2018a-59
0.340
MAK-UNK-ca11b4f7-3
0.338
DAR-DIA-842b4336-10
0.338
CHR-SOS-f7373dd1-5
0.337
MAK-UNK-c749d764-27
0.337
MAR-TRE-7f7bb9f0-74
0.337
SAD-SAT-689b7d5a-4
0.337