Molecular Properties | |
SMILES: | COc1cc(Cl)cc(N(CCC2CCCCC2)C(=O)Nc2cnccc2C)c1 |
MW: | 401.19 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 54.46 |
cLogP: | 6.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-53907a1c-2
0.791
DAR-DIA-1d7f034a-1
0.767
MAR-UCB-ad2ff052-3
0.767
MAT-POS-136e7878-1
0.667
MAT-UCB-93f6aed8-1
0.584
ALP-POS-3fc1724e-7
0.545
MIC-UNK-ea979c74-4
0.537
MAR-UCB-ad2ff052-2
0.536
MAT-POS-53907a1c-3
0.509
ALF-EVA-650655fc-5
0.483
ALF-EVA-650655fc-3
0.477
MAR-UCB-ad2ff052-1
0.460
ALF-EVA-650655fc-2
0.459
MAT-POS-c9973a83-1
0.451
ALP-POS-3fc1724e-5
0.450
TRY-UNI-714a760b-10
0.447
ALE-HEI-f28a35b5-6
0.447
EDG-MED-0da5ad92-4
0.447
ALF-EVA-650655fc-1
0.436
MAT-POS-0d6fb2dd-1
0.429
MAT-POS-6c3d76b3-1
0.429
JOR-UNI-2fc98d0b-12
0.420
VLA-UCB-05e51b3f-14
0.419
EDJ-MED-c314995a-1
0.419
EDG-MED-0da5ad92-3
0.411
ALF-EVA-650655fc-4
0.402
ALF-EVA-650655fc-6
0.400
ALF-EVA-650655fc-7
0.398
EDG-MED-0da5ad92-20
0.396
EDG-MED-0da5ad92-19
0.396
ALF-EVA-650655fc-8
0.393
ADA-UCB-dc2b944c-2
0.389
RAL-THA-901e9a10-5
0.388
MIC-UNK-cdc2493e-1
0.387
TRY-UNI-714a760b-11
0.386
ALE-HEI-f28a35b5-7
0.386
CHO-MSK-6e55470f-2
0.385
TRY-UNI-2eddb1ff-8
0.385
TRY-UNI-2eddb1ff-7
0.385
WIL-MOD-03b86a88-1
0.385
CHA-KIN-f512e507-1
0.379
CHA-KIN-f512e507-3
0.377
RAY-UNI-5365d7e5-1
0.377
DAR-DIA-23e5a6a0-22
0.376
CHO-MSK-6e55470f-7
0.373
JAN-GHE-f4ca5a00-15
0.372
CHA-KIN-f512e507-2
0.371
MAT-POS-f42f3716-3
0.370
MAT-UCB-93f6aed8-2
0.369
SAM-UNK-2684b532-4
0.369
SAM-UNK-2684b532-2
0.367
DAR-DIA-667e571f-7
0.367
WIL-MOD-03b86a88-4
0.365
NAU-LAT-0543f7f2-1
0.362
DAR-DIA-23e5a6a0-24
0.361
TRY-UNI-714a760b-16
0.359
DAR-DIA-23e5a6a0-26
0.358
RAL-THA-6b94ceba-8
0.356
NAU-LAT-3f5f3993-1
0.356
NAU-LAT-0543f7f2-5
0.356
JOR-UNI-61e7b1d5-18
0.355
DAR-DIA-23e5a6a0-30
0.355
EDG-MED-0da5ad92-5
0.354
ADA-UCB-dc2b944c-17
0.354
ADA-UCB-dc2b944c-3
0.354
WIL-MOD-03b86a88-2
0.353
RAL-THA-6b94ceba-9
0.353
RAL-THA-6b94ceba-1
0.352
DAR-DIA-23e5a6a0-23
0.352
DAR-DIA-23e5a6a0-21
0.351
CHO-MSK-6e55470f-8
0.351
MAT-POS-e501d84c-1
0.350
RAL-THA-6b94ceba-11
0.350
MAT-POS-044491d2-1
0.349
CHO-MSK-6e55470f-5
0.349
CHA-KIN-cd2ef30b-1
0.348
EDG-MED-0da5ad92-9
0.347
RAL-THA-6b94ceba-12
0.347
RAL-THA-6b94ceba-16
0.347
WIL-MOD-03b86a88-3
0.347
DAR-DIA-23e5a6a0-29
0.346
CHO-MSK-6e55470f-20
0.345
ERI-UCB-5b47150d-4
0.345
ALP-POS-3fc1724e-6
0.345
CHO-MSK-6e55470f-18
0.345
MAT-POS-590ac91e-19
0.344
CHO-MSK-6e55470f-4
0.344
EDJ-MED-e58735b6-1
0.344
NAU-LAT-0543f7f2-7
0.343
RAL-THA-6b94ceba-10
0.343
NAU-LAT-0543f7f2-2
0.343
ALP-POS-ddb41b15-10
0.342
CHO-MSK-6e55470f-22
0.342
MAT-POS-590ac91e-5
0.341
ERI-UCB-5b47150d-6
0.341
RAL-THA-6b94ceba-7
0.340
SAD-SAT-7d5528d9-7
0.340
RAL-THA-6b94ceba-3
0.339
RAL-THA-6b94ceba-4
0.339
MAT-POS-f42f3716-1
0.339