Molecular Properties | |
SMILES: | COc1ccccc1OC[C@H](C(=O)Nc1cnccc1C)c1cccc(Cl)c1 |
MW: | 396.12 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 60.45 |
cLogP: | 4.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-5
0.633
JAN-GHE-83b26c96-8
0.595
MAK-UNK-f203cb68-3
0.593
ADA-UCB-6c2cb422-8
0.577
JAN-GHE-83b26c96-4
0.542
TRY-UNI-2eddb1ff-4
0.542
JAN-GHE-83b26c96-5
0.542
TRY-UNI-714a760b-18
0.542
TRY-UNI-2eddb1ff-5
0.542
MAK-UNK-f203cb68-1
0.538
MAT-POS-1e5f28a7-1
0.517
BEN-DND-93268d01-2
0.512
JAN-GHE-83b26c96-10
0.506
JAN-GHE-83b26c96-9
0.500
SAM-UNK-2684b532-1
0.489
TRY-UNI-714a760b-6
0.471
BEN-DND-93268d01-3
0.464
MAK-UNK-f203cb68-19
0.463
TRY-UNI-9f475305-3
0.458
SAM-UNK-2684b532-3
0.458
NAU-LAT-a5c7d7cb-3
0.458
VLA-UCB-05e51b3f-2
0.458
MAK-UNK-f203cb68-21
0.455
TRY-UNI-714a760b-12
0.442
JAG-UCB-cedd89ab-8
0.442
MAK-UNK-f203cb68-4
0.440
JAN-GHE-83b26c96-1
0.433
TRY-UNI-2eddb1ff-3
0.432
ALP-POS-ddb41b15-1
0.422
MAK-UNK-f203cb68-22
0.422
EDG-MED-0da5ad92-6
0.420
MAK-UNK-6ca90168-24
0.420
DRE-WAB-eb790b7a-1
0.419
PED-UNI-8d53fd73-1
0.419
PED-UNI-5b7f1100-1
0.419
DAN-RED-da448e80-1
0.419
ALP-POS-f13221e1-4
0.418
MAK-UNK-f203cb68-20
0.413
BAR-COM-0f94fc3d-19
0.413
DAN-RED-da448e80-9
0.411
ALP-POS-3fc1724e-7
0.407
ALP-POS-3fc1724e-6
0.407
AHN-SAT-202241f6-1
0.407
TRY-UNI-714a760b-17
0.407
EDJ-MED-e58735b6-1
0.407
EDJ-MED-e58735b6-2
0.404
BEN-DND-93268d01-14
0.404
JIN-POS-6dc588a4-3
0.402
DAN-RED-da448e80-13
0.402
JAN-GHE-83b26c96-22
0.396
EDG-MED-0da5ad92-10
0.396
SAM-UNK-2684b532-7
0.396
MAK-UNK-f203cb68-18
0.396
JAN-GHE-83b26c96-2
0.394
ERI-UCB-5b47150d-1
0.390
MAT-POS-590ac91e-2
0.390
MAT-POS-590ac91e-1
0.390
BAR-COM-0f94fc3d-38
0.389
ABI-SAT-4d06482b-1
0.386
EDG-MED-0da5ad92-20
0.386
DAN-RED-da448e80-17
0.385
BAR-COM-0f94fc3d-58
0.385
EDG-MED-0da5ad92-3
0.385
EDG-MED-0da5ad92-19
0.385
ALP-POS-95b75b4d-1
0.385
RIT-AID-a492ba81-1
0.383
MAK-UNK-f203cb68-16
0.381
DAN-RED-da448e80-5
0.381
MAT-POS-c9973a83-1
0.379
WIL-MOD-03b86a88-3
0.378
MAK-UNK-f203cb68-12
0.377
SAM-UNK-2684b532-10
0.376
TRY-UNI-714a760b-22
0.375
ALP-POS-95b75b4d-4
0.375
TRY-UNI-2eddb1ff-8
0.375
ANN-UNI-98d2bf15-5
0.375
SAM-UNK-2684b532-5
0.375
DAR-DIA-0cde14eb-11
0.374
DAR-DIA-0cde14eb-12
0.374
JAN-GHE-83b26c96-13
0.374
ALP-POS-95b75b4d-2
0.374
JAN-GHE-83b26c96-23
0.372
ANN-UNI-98d2bf15-2
0.372
SAM-UNK-2684b532-2
0.371
JAN-GHE-83b26c96-12
0.370
SAD-SAT-7d5528d9-7
0.369
JAN-GHE-83b26c96-20
0.368
EDG-MED-0da5ad92-11
0.368
ADA-UNI-f8e79267-11
0.367
JAN-GHE-83b26c96-17
0.366
SAD-SAT-7d5528d9-4
0.365
DAR-DIA-0cde14eb-79
0.365
MAK-UNK-f203cb68-15
0.364
DAR-DIA-0cde14eb-10
0.364
JAN-GHE-f4ca5a00-15
0.363
EDG-MED-0da5ad92-8
0.363
TRY-UNI-2eddb1ff-2
0.363
MAT-POS-f42f3716-3
0.361
SAM-UNK-2684b532-6
0.361
ALE-HEI-f28a35b5-13
0.360