Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(CCc1ccc(F)cc1)c1cccc(Cl)c1 |
MW: | 418.12 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 41.99 |
cLogP: | 6.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-c66144cb-1
0.774
ALP-POS-3b848b35-4
0.641
MIC-UNK-c66144cb-3
0.641
JOH-UNI-3fc3434e-6
0.640
JOH-UNI-ee5ed7c8-6
0.640
VLA-UNK-9a7dc93f-7
0.545
EDJ-MED-cf4b0d25-4
0.544
MAT-POS-fce787c2-11
0.540
MIC-UNK-5a93dd5f-2
0.531
MIC-UNK-5a93dd5f-1
0.531
NAU-LAT-a5c7d7cb-2
0.521
MIC-UNK-6ab519a7-1
0.521
MIC-UNK-5a93dd5f-10
0.521
NIR-THE-590dedc7-1
0.521
EDJ-MED-cf4b0d25-3
0.505
MAK-UNK-ffc90da7-7
0.500
MIC-UNK-5a93dd5f-5
0.495
MIC-UNK-5a93dd5f-4
0.495
MIC-UNK-5a93dd5f-8
0.495
MIC-UNK-d36ab305-1
0.495
RAL-THA-2d450e86-7
0.494
EDJ-MED-ee07cf00-4
0.490
MAK-UNK-c749d764-6
0.490
MAK-UNK-ffc90da7-1
0.490
MIC-UNK-d36ab305-4
0.490
MIC-UNK-5a93dd5f-11
0.485
MIC-UNK-5a93dd5f-6
0.480
MIC-UNK-5a93dd5f-9
0.480
ALP-POS-f13221e1-3
0.478
ADA-UCB-6c2cb422-1
0.477
MIC-UNK-5a93dd5f-3
0.476
EDJ-MED-cf4b0d25-5
0.472
MIC-UNK-5a93dd5f-12
0.467
EDJ-MED-ee07cf00-16
0.464
MIC-UNK-5a93dd5f-7
0.462
MIC-UNK-c66144cb-5
0.461
MAK-UNK-ffc90da7-4
0.455
MAK-UNK-c749d764-22
0.455
EDJ-MED-ee07cf00-10
0.455
EDJ-MED-cf4b0d25-1
0.455
MAT-POS-fce787c2-5
0.452
MAT-POS-1f3f1a6f-1
0.451
MAT-POS-fce787c2-4
0.451
MAT-POS-fce787c2-3
0.451
MAT-POS-de59a476-1
0.451
EDJ-MED-ee07cf00-5
0.450
EDJ-MED-ee07cf00-12
0.450
MAK-UNK-919546f0-2
0.448
MAK-UNK-f481d203-3
0.448
MAK-UNK-f481d203-4
0.448
VLA-UNK-9a7dc93f-6
0.448
EDJ-MED-ee07cf00-15
0.446
NAU-LAT-2fed8305-1
0.446
PET-UNK-1320d94d-7
0.445
PET-UNK-1320d94d-8
0.445
PET-UNK-1320d94d-21
0.444
PET-UNK-1320d94d-22
0.444
MAT-POS-de59a476-5
0.443
EDJ-MED-ee07cf00-13
0.442
MAT-POS-a13804f0-1
0.442
RAL-THA-2d450e86-14
0.441
RAL-THA-2d450e86-6
0.441
DAR-DIA-0cde14eb-57
0.439
PET-UNK-1320d94d-9
0.439
PET-UNK-1320d94d-10
0.439
VLA-UCB-34f3ed0c-7
0.438
PET-UNK-1320d94d-5
0.438
EDJ-MED-ee07cf00-1
0.438
MIC-UNK-16ccb665-3
0.438
MAT-POS-1f3f1a6f-3
0.438
PET-UNK-1320d94d-6
0.438
MAT-POS-d8472c4f-2
0.438
PET-UNK-1320d94d-2
0.436
PET-UNK-1320d94d-1
0.436
ALP-POS-f13221e1-2
0.436
MAT-POS-de59a476-2
0.436
NAU-LAT-2fed8305-2
0.436
MIC-UNK-cdc2493e-3
0.436
ALP-POS-ddb41b15-6
0.435
EDJ-MED-ee07cf00-18
0.434
VLA-UNK-9a7dc93f-5
0.433
MAT-POS-fce787c2-8
0.432
MAT-POS-1f3f1a6f-2
0.432
EDJ-MED-cf4b0d25-2
0.431
PET-UNK-dd44aeb6-1
0.430
RAL-THA-2d450e86-25
0.430
LON-WEI-9739a092-4
0.430
PET-UNK-ac320b15-7
0.430
PET-UNK-ac320b15-10
0.430
MAT-POS-8293a91a-2
0.430
MAT-POS-8293a91a-6
0.430
EDJ-MED-ee07cf00-7
0.430
EDJ-MED-ee07cf00-11
0.430
PET-UNK-ac320b15-8
0.430
PET-UNK-ac320b15-9
0.430
MAT-POS-7174c657-5
0.430
MAT-POS-a13804f0-4
0.430
PET-UNK-1320d94d-28
0.430
EDJ-MED-ee07cf00-9
0.430
PET-UNK-1320d94d-27
0.430