Molecular Properties | |
SMILES: | CC(C)(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 324.1 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-10
0.556
JAN-GHE-83b26c96-22
0.556
MAT-POS-e9e99895-1
0.545
MAT-POS-fce787c2-7
0.545
MAT-POS-fce787c2-9
0.538
ADA-UCB-6c2cb422-1
0.533
VLA-UNK-9a7dc93f-7
0.532
ALP-POS-ddb41b15-6
0.519
MAT-POS-fce787c2-6
0.519
NAU-LAT-2fed8305-2
0.519
ALP-POS-f13221e1-3
0.513
EDJ-MED-cf4b0d25-4
0.512
NAU-LAT-2fed8305-7
0.506
PET-UNK-8c422e11-1
0.506
ALP-POS-f13221e1-2
0.500
MIC-UNK-5a93dd5f-10
0.488
NIR-THE-590dedc7-1
0.488
MAT-POS-e9e99895-10
0.488
NAU-LAT-a5c7d7cb-2
0.488
MIC-UNK-6ab519a7-1
0.488
JOH-UNI-3fc3434e-6
0.482
JOH-UNI-ee5ed7c8-6
0.482
BEN-BAS-5c03e89e-2
0.478
MIC-UNK-cdc2493e-11
0.477
MIC-UNK-bcd487e9-3
0.477
MIC-UNK-d36ab305-1
0.477
MIC-UNK-d36ab305-5
0.477
FRA-DIA-13af2da5-1
0.477
RAL-THA-2d450e86-24
0.475
PET-UNK-dd44aeb6-2
0.475
RAL-THA-2d450e86-27
0.475
MIC-UNK-cdc2493e-17
0.472
MIC-UNK-d36ab305-4
0.472
MAT-POS-e9e99895-11
0.472
LON-WEI-af038623-3
0.471
RAL-THA-2d450e86-30
0.468
MAT-POS-fce787c2-2
0.468
MIC-UNK-cdc2493e-12
0.467
MAK-UNK-ffc90da7-7
0.467
MIC-UNK-bcd487e9-2
0.467
MAT-POS-e9e99895-12
0.467
MIC-UNK-cdc2493e-6
0.466
MIC-UNK-d36ab305-2
0.466
NAU-LAT-2fed8305-5
0.463
MIC-UNK-5a93dd5f-9
0.462
ALP-POS-3b848b35-4
0.462
MIC-UNK-c66144cb-3
0.462
MIC-UNK-cdc2493e-20
0.462
MIC-UNK-cdc2493e-24
0.462
MIC-UNK-5a93dd5f-8
0.462
MIC-UNK-cdc2493e-19
0.461
RYA-UNI-14580791-1
0.461
MIC-UNK-bcd487e9-1
0.460
PET-UNK-8c422e11-2
0.460
RAL-THA-2d450e86-25
0.457
PET-UNK-dd44aeb6-1
0.457
MIC-UNK-cdc2493e-18
0.457
MAK-UNK-c749d764-6
0.457
MAK-UNK-ffc90da7-1
0.457
NAU-LAT-2fed8305-9
0.456
RAL-THA-2d450e86-33
0.456
MIC-UNK-cdc2493e-1
0.456
RAL-THA-2d450e86-2
0.455
EDJ-MED-12c115cc-1
0.453
MAT-POS-f7918075-2
0.453
EDJ-MED-12c115cc-2
0.453
MAT-POS-bbbbc21a-2
0.453
MIC-UNK-cdc2493e-9
0.452
MIC-UNK-cdc2493e-21
0.452
PET-UNK-3c72d439-1
0.451
RAL-THA-2d450e86-8
0.451
RAL-THA-2d450e86-31
0.451
RAL-THA-2d450e86-15
0.451
MIC-UNK-cdc2493e-4
0.451
MIC-UNK-cdc2493e-5
0.451
MIC-UNK-bcd487e9-10
0.451
MIC-UNK-5a93dd5f-1
0.451
MIC-UNK-5a93dd5f-2
0.451
MAT-POS-afd4d4fd-2
0.450
RAL-THA-2d450e86-13
0.450
MAR-UCB-6ab2ec87-6
0.449
MAT-POS-e9e99895-13
0.448
MAT-POS-bbbbc21a-1
0.447
MAT-POS-3b92565d-1
0.447
PET-UNK-bb7ffe78-3
0.447
BEN-DND-d1eb1f41-4
0.447
RAL-THA-2d450e86-29
0.447
MIC-UNK-cdc2493e-10
0.447
MIC-UNK-5a93dd5f-4
0.447
MIC-UNK-5a93dd5f-6
0.447
PET-UNK-bb7ffe78-1
0.446
VLA-UCB-05e51b3f-14
0.446
EDJ-MED-c314995a-1
0.446
BEN-BAS-5c03e89e-1
0.446
MIC-UNK-c66144cb-2
0.446
MIC-UNK-cdc2493e-3
0.444
MIC-UNK-cdc2493e-23
0.444
MIC-UNK-bcd487e9-5
0.444
MAT-POS-fce787c2-3
0.444
MIC-UNK-5a93dd5f-7
0.443