Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)cc1 |
MW: | 430.12 |
Fraction sp3: | 0.04 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 74.33 |
cLogP: | 6.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-d2866bdf-1
FRA-DIA-13af2da5-1
0.792
MIC-UNK-d36ab305-5
0.792
RYA-UNI-14580791-1
0.627
MIC-UNK-d36ab305-3
0.589
MIC-UNK-cdc2493e-20
0.548
MIC-UNK-bcd487e9-10
0.538
MIC-UNK-cdc2493e-21
0.537
MIC-UNK-bcd487e9-1
0.533
MIC-UNK-cdc2493e-17
0.527
MIC-UNK-cdc2493e-18
0.526
MIC-UNK-cdc2493e-9
0.521
MIC-UNK-cdc2493e-19
0.516
MIC-UNK-d36ab305-1
0.516
MIC-UNK-cdc2493e-3
0.516
MIC-UNK-cdc2493e-11
0.516
MIC-UNK-cdc2493e-10
0.515
MIC-UNK-cdc2493e-6
0.505
MIC-UNK-cdc2493e-12
0.505
MIC-UNK-bcd487e9-5
0.500
MIC-UNK-bcd487e9-8
0.500
MIC-UNK-cdc2493e-16
0.500
MIC-UNK-cdc2493e-23
0.500
MIC-UNK-cdc2493e-24
0.500
MIC-UNK-bcd487e9-3
0.500
PET-UNK-a17c93d1-1
0.495
MIC-UNK-bcd487e9-9
0.495
MIC-UNK-cdc2493e-1
0.495
VLA-UCB-34f3ed0c-13
0.490
MIC-UNK-cdc2493e-4
0.490
MIC-UNK-bcd487e9-2
0.490
MIC-UNK-cdc2493e-5
0.490
VLA-UCB-34f3ed0c-7
0.485
MIC-UNK-cdc2493e-22
0.485
VLA-UCB-05e51b3f-14
0.485
EDJ-MED-c314995a-1
0.485
MIC-UNK-bcd487e9-7
0.485
MIC-UNK-bcd487e9-4
0.480
MIC-UNK-bcd487e9-6
0.480
VLA-UCB-34f3ed0c-6
0.475
RYA-UNI-8a7f7a0d-1
0.471
ADA-UCB-dc2b944c-6
0.471
MIC-UNK-cdc2493e-2
0.470
MIC-UNK-cdc2493e-15
0.470
EDJ-MED-cf4b0d25-4
0.467
ALP-POS-f13221e1-3
0.466
SAM-UNK-2684b532-2
0.466
NAU-LAT-2fed8305-1
0.466
VLA-UCB-34f3ed0c-5
0.465
MIC-UNK-cdc2493e-7
0.465
ADA-UCB-dc2b944c-18
0.465
ADA-UCB-6c2cb422-1
0.465
MIC-UNK-cdc2493e-8
0.456
MIC-UNK-cdc2493e-13
0.456
NAU-LAT-2fed8305-2
0.456
ALP-POS-ddb41b15-6
0.455
EDG-MED-0da5ad92-19
0.452
VLA-UNK-9a7dc93f-7
0.451
MIC-UNK-d36ab305-4
0.449
MIC-UNK-cdc2493e-14
0.448
NAU-LAT-2fed8305-7
0.446
MIC-UNK-5a93dd5f-6
0.441
ALP-POS-f13221e1-2
0.440
RAL-THA-2d450e86-27
0.433
NIR-THE-590dedc7-1
0.433
MIC-UNK-d36ab305-6
0.433
NAU-LAT-a5c7d7cb-2
0.433
MIC-UNK-5a93dd5f-10
0.433
MIC-UNK-6ab519a7-1
0.433
RAL-THA-1d44ff04-3
0.432
MAT-POS-fce787c2-2
0.425
RAL-THA-2d450e86-30
0.425
MAT-POS-fce787c2-3
0.422
MAK-UNK-c749d764-6
0.422
MAK-UNK-ffc90da7-1
0.422
DAR-DIA-2964957d-9
0.421
MAT-POS-06036648-7
0.418
MAK-UNK-ffc90da7-7
0.416
MIC-UNK-5a93dd5f-5
0.415
MAT-POS-fb82b63d-2
0.414
MIC-UNK-5a93dd5f-4
0.413
PET-UNK-3c72d439-1
0.413
RAL-THA-2d450e86-15
0.413
JOH-UNI-3fc3434e-6
0.412
JOH-UNI-ee5ed7c8-6
0.412
EDG-MED-90036822-86
0.412
MIC-UNK-5a93dd5f-8
0.412
MIC-UNK-5a93dd5f-7
0.411
NIR-WEI-dcc3321b-6
0.411
MAT-POS-1f3f1a6f-3
0.411
MAT-POS-fce787c2-9
0.409
PET-UNK-bb7ffe78-1
0.409
RAL-THA-1d44ff04-11
0.408
MAT-POS-fce787c2-4
0.407
MAT-POS-de59a476-1
0.407
NAU-LAT-2fed8305-5
0.407
MAT-POS-fce787c2-6
0.407
BEN-DND-d1eb1f41-6
0.406
LON-WEI-af038623-3
0.405
MAT-POS-1f3f1a6f-2
0.404
BEN-BAS-c2bc0d80-2
0.404