Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)CC1 |
MW: | 386.15 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-05e51b3f-2
1.000
MAK-UNK-902cc841-17
0.641
NIR-THE-590dedc7-1
0.627
MIC-UNK-5a93dd5f-10
0.627
NAU-LAT-a5c7d7cb-2
0.627
MIC-UNK-6ab519a7-1
0.627
MAK-UNK-902cc841-15
0.588
EDG-MED-0da5ad92-5
0.571
NAU-LAT-a5c7d7cb-6
0.560
JAN-GHE-83b26c96-5
0.558
TRY-UNI-2eddb1ff-5
0.558
JAN-GHE-83b26c96-4
0.558
TRY-UNI-714a760b-18
0.558
TRY-UNI-2eddb1ff-4
0.558
SAM-UNK-2684b532-1
0.556
JAN-GHE-83b26c96-9
0.551
BEN-DND-6de5dfa0-10
0.547
JAN-GHE-83b26c96-10
0.537
JAN-GHE-83b26c96-8
0.537
MAK-UNK-f203cb68-3
0.536
MAT-POS-1e5f28a7-1
0.531
MAK-UNK-f203cb68-1
0.500
MAK-UNK-f203cb68-19
0.489
TRY-UNI-9f475305-3
0.483
SAM-UNK-2684b532-3
0.483
MIC-UNK-5a93dd5f-8
0.474
MIH-UNI-6b9ca91a-2
0.461
MIC-UNK-5a93dd5f-4
0.459
MIC-UNK-5a93dd5f-6
0.459
ADA-UCB-6c2cb422-9
0.458
NAU-LAT-3f5f3993-10
0.456
MAK-UNK-f203cb68-18
0.451
TRY-UNI-714a760b-12
0.450
EDJ-MED-3c65e9ce-1
0.450
JAG-UCB-cedd89ab-8
0.450
BEN-DND-93268d01-8
0.450
MAK-UNK-f203cb68-4
0.447
MAK-UNK-f203cb68-21
0.447
TRY-UNI-714a760b-6
0.444
MAK-UNK-6ca90168-24
0.444
MAK-UNK-f203cb68-22
0.442
TRY-UNI-2eddb1ff-3
0.439
BEN-DND-93268d01-3
0.438
EDG-MED-0da5ad92-10
0.434
JAN-GHE-83b26c96-22
0.434
MIC-UNK-5a93dd5f-1
0.433
MIC-UNK-5a93dd5f-2
0.433
MIC-UNK-5a93dd5f-5
0.431
MIC-UNK-5a93dd5f-9
0.430
ALP-POS-ddb41b15-1
0.427
MIC-UNK-5a93dd5f-7
0.427
BEN-DND-93268d01-14
0.427
EDG-MED-0da5ad92-6
0.427
ALP-POS-f13221e1-4
0.424
EDG-MED-0da5ad92-3
0.422
EDG-MED-0da5ad92-19
0.422
MIC-UNK-5a93dd5f-11
0.422
EDG-MED-0da5ad92-11
0.419
BAR-COM-0f94fc3d-19
0.419
JAN-GHE-83b26c96-20
0.419
MAK-UNK-f203cb68-20
0.418
SAD-SAT-7d5528d9-7
0.415
MIC-UNK-5a93dd5f-3
0.413
AHN-SAT-202241f6-1
0.412
TRY-UNI-714a760b-17
0.412
NAU-LAT-3f5f3993-2
0.410
BAR-COM-0f94fc3d-38
0.409
ABI-SAT-4d06482b-1
0.407
JAN-GHE-83b26c96-23
0.407
DAR-DIA-0cde14eb-11
0.407
NAU-LAT-3f5f3993-1
0.407
DAR-DIA-0cde14eb-12
0.407
BAR-COM-0f94fc3d-25
0.404
BEN-DND-93268d01-2
0.400
SAM-UNK-2684b532-7
0.400
MAK-UNK-f203cb68-16
0.400
DAN-RED-da448e80-9
0.400
JAN-GHE-83b26c96-2
0.398
BEN-DND-6de5dfa0-6
0.398
MAT-POS-590ac91e-13
0.397
SAD-SAT-7d5528d9-4
0.396
DAR-DIA-0cde14eb-10
0.396
MAT-POS-590ac91e-5
0.395
ERI-UCB-5b47150d-1
0.395
MAT-POS-590ac91e-1
0.395
MAT-POS-590ac91e-2
0.395
MAK-UNK-f203cb68-12
0.394
SAM-UNK-2684b532-10
0.394
TRY-UNI-714a760b-22
0.393
BEN-DND-22e6b372-1
0.393
MIC-UNK-5a93dd5f-12
0.393
TRY-UNI-2eddb1ff-8
0.392
MAR-TRE-4b834d9a-26
0.392
DAR-DIA-0cde14eb-13
0.391
MAK-UNK-f203cb68-9
0.389
SAM-UNK-2684b532-2
0.389
ALE-HEI-f28a35b5-17
0.388
SCO-VAN-260d9628-1
0.388
MAK-UNK-6435e6c2-8
0.386
AAR-POS-d2a4d1df-3
0.386