Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(c2cccc(Cl)c2)CC1 |
MW: | 322.09 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-2fed8305-7
0.797
ADA-UCB-6c2cb422-1
0.539
JAN-GHE-83b26c96-20
0.539
EDG-MED-0da5ad92-11
0.539
ALP-POS-f13221e1-3
0.538
NAU-LAT-2fed8305-1
0.519
MAT-POS-e119ab4f-4
0.511
NAU-LAT-2fed8305-5
0.506
ALP-POS-ddb41b15-6
0.506
ALP-POS-f13221e1-2
0.506
DAR-DIA-0cde14eb-48
0.506
MIC-UNK-cdc2493e-1
0.494
DAR-DIA-0cde14eb-51
0.488
DAR-DIA-0cde14eb-52
0.488
RAL-THA-eb6cb89c-2
0.484
PET-UNK-407a74a5-6
0.484
EDJ-MED-c314995a-1
0.484
VLA-UCB-05e51b3f-14
0.484
MAT-POS-9db1e783-1
0.483
MAT-POS-2905de8c-3
0.483
EDJ-MED-e4b030d8-13
0.483
MAT-POS-8e4737f4-1
0.483
DAR-DIA-6a508060-10
0.483
MIC-UNK-bcd487e9-3
0.483
BEN-DND-a7517465-4
0.483
MIC-UNK-cdc2493e-19
0.483
EDG-MED-971238d3-1
0.483
MIC-UNK-cdc2493e-23
0.483
MIC-UNK-bcd487e9-1
0.483
EDJ-MED-cf4b0d25-4
0.482
DAR-DIA-0cde14eb-47
0.482
VLA-UNK-9a7dc93f-7
0.482
RAL-THA-2d450e86-2
0.481
MAT-POS-9db1e783-2
0.478
EDG-MED-971238d3-2
0.478
PET-UNK-022eab87-2
0.478
DAR-DIA-0cde14eb-50
0.476
RAL-THA-2d450e86-30
0.474
MAT-POS-fce787c2-2
0.474
MIC-UNK-6e9f8a43-2
0.473
VLA-UCB-34f3ed0c-6
0.473
MAT-POS-89e65850-2
0.473
MAT-POS-2905de8c-1
0.473
MAT-POS-2905de8c-2
0.473
MAT-POS-3b97339c-2
0.473
MAT-POS-a3f7f96a-1
0.473
MIC-UNK-bcd487e9-2
0.473
EDG-MED-971238d3-4
0.473
EDJ-MED-70ab3faf-1
0.473
PET-UNK-407a74a5-5
0.473
EDG-MED-971238d3-11
0.473
MAT-POS-fb82b63d-2
0.472
MIC-UNK-cdc2493e-6
0.472
EDJ-MED-2f867453-1
0.472
DAR-DIA-0cde14eb-53
0.471
DAR-DIA-0cde14eb-46
0.471
ADA-UCB-dc2b944c-6
0.469
EDJ-MED-211392e3-1
0.468
MIC-UNK-ea4eb352-1
0.468
VLA-UCB-34f3ed0c-7
0.468
RYA-UNI-14580791-1
0.468
MIC-UNK-ea4eb352-4
0.467
MAT-POS-83f73d0a-3
0.467
EDG-MED-90036822-86
0.467
DAR-DIA-0d514e7d-30
0.467
VLA-UCB-1dbca3b4-14
0.467
MIC-UNK-cdc2493e-11
0.467
MIC-UNK-bcd487e9-5
0.467
EDJ-MED-e4b030d8-1
0.467
MIC-UNK-cdc2493e-3
0.467
MAT-POS-c7771779-1
0.467
LUO-POS-433ce175-1
0.467
EDJ-MED-9e38fd34-3
0.466
EDJ-MED-9e38fd34-1
0.466
FRA-DIA-13af2da5-1
0.466
MIC-UNK-d36ab305-5
0.466
EDJ-MED-9e38fd34-2
0.466
DAR-DIA-0cde14eb-49
0.465
RAL-THA-2d450e86-27
0.463
PET-UNK-dd44aeb6-1
0.463
RAL-THA-2d450e86-25
0.463
PET-UNK-dd44aeb6-2
0.463
RAL-THA-2d450e86-24
0.463
RAL-THA-58fba2bc-3
0.463
PET-UNK-1abb40f2-2
0.463
PET-UNK-1abb40f2-4
0.463
EDG-MED-971238d3-9
0.463
EDG-MED-971238d3-3
0.463
EDG-MED-971238d3-6
0.463
JAG-UCB-706446eb-3
0.463
EDG-MED-90036822-13
0.463
NAU-LAT-2fed8305-9
0.463
MAT-POS-23a8a11a-1
0.463
DAR-DIA-0d514e7d-28
0.462
PET-UNK-29afea89-2
0.462
MAK-UNK-ffc90da7-1
0.462
MIC-UNK-bcd487e9-4
0.462
MIC-UNK-bcd487e9-6
0.462
EDJ-MED-d08626de-2
0.462
MAK-UNK-c749d764-6
0.462