Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(CCc1cccc(F)c1)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-2
0.774
MIC-UNK-c66144cb-3
0.634
ALP-POS-3b848b35-4
0.634
JOH-UNI-ee5ed7c8-6
0.632
JOH-UNI-3fc3434e-6
0.632
VLA-UNK-9a7dc93f-7
0.539
EDJ-MED-cf4b0d25-4
0.538
MAT-POS-fce787c2-11
0.534
MIC-UNK-5a93dd5f-1
0.526
MIC-UNK-5a93dd5f-2
0.526
ALP-POS-f13221e1-3
0.523
NIR-THE-590dedc7-1
0.516
MIC-UNK-6ab519a7-1
0.516
NAU-LAT-a5c7d7cb-2
0.516
MIC-UNK-5a93dd5f-10
0.516
RAL-THA-2d450e86-10
0.506
MIC-UNK-5a93dd5f-4
0.505
EDJ-MED-cf4b0d25-3
0.500
MAK-UNK-ffc90da7-7
0.495
MIC-UNK-5a93dd5f-5
0.490
MIC-UNK-5a93dd5f-8
0.490
MIC-UNK-d36ab305-1
0.490
ADA-UCB-6c2cb422-1
0.489
EDJ-MED-ee07cf00-4
0.485
MAK-UNK-c749d764-6
0.485
MAK-UNK-ffc90da7-1
0.485
MIC-UNK-d36ab305-4
0.485
MIC-UNK-5a93dd5f-11
0.481
MIC-UNK-c66144cb-4
0.480
MIC-UNK-5a93dd5f-9
0.476
MIC-UNK-5a93dd5f-6
0.476
MIC-UNK-5a93dd5f-3
0.472
EDJ-MED-cf4b0d25-5
0.467
MIC-UNK-5a93dd5f-12
0.463
MAT-POS-fce787c2-3
0.462
MIC-UNK-5a93dd5f-7
0.458
RAL-THA-2d450e86-14
0.452
MAK-UNK-ffc90da7-4
0.450
EDJ-MED-ee07cf00-10
0.450
EDJ-MED-cf4b0d25-1
0.450
MAK-UNK-c749d764-22
0.450
MAT-POS-fce787c2-5
0.447
MAT-POS-d8472c4f-2
0.446
MAT-POS-1f3f1a6f-1
0.446
MAT-POS-fce787c2-4
0.446
MAT-POS-de59a476-1
0.446
EDJ-MED-ee07cf00-12
0.445
VLA-UNK-9a7dc93f-6
0.443
MAK-UNK-919546f0-2
0.443
MAK-UNK-f481d203-4
0.443
MAK-UNK-f481d203-3
0.443
EDJ-MED-ee07cf00-18
0.442
PET-UNK-1320d94d-8
0.441
PET-UNK-1320d94d-7
0.441
NAU-LAT-2fed8305-1
0.441
PET-UNK-1320d94d-21
0.440
PET-UNK-1320d94d-22
0.440
MAT-POS-de59a476-5
0.439
EDJ-MED-ee07cf00-17
0.435
PET-UNK-1320d94d-9
0.435
PET-UNK-1320d94d-10
0.435
PET-UNK-1320d94d-5
0.434
PET-UNK-1320d94d-6
0.434
EDJ-MED-ee07cf00-1
0.434
EDJ-MED-ee07cf00-5
0.434
EDJ-MED-ee07cf00-16
0.434
RAL-THA-2d450e86-35
0.433
RAL-THA-2d450e86-16
0.433
MIC-UNK-16ccb665-3
0.433
MAT-POS-1f3f1a6f-3
0.433
PET-UNK-1320d94d-2
0.432
PET-UNK-1320d94d-1
0.432
ALP-POS-f13221e1-2
0.432
MAT-POS-de59a476-2
0.432
MIC-UNK-cdc2493e-3
0.431
ALP-POS-ddb41b15-6
0.430
MIC-UNK-bcd487e9-1
0.430
EDJ-MED-ee07cf00-15
0.430
VLA-UNK-9a7dc93f-5
0.429
EDJ-MED-cf4b0d25-2
0.427
MAT-POS-1f3f1a6f-2
0.427
MAT-POS-fce787c2-8
0.427
PET-UNK-1320d94d-28
0.426
PET-UNK-ac320b15-5
0.426
PET-UNK-ac320b15-6
0.426
PET-UNK-ac320b15-7
0.426
PET-UNK-ac320b15-8
0.426
PET-UNK-ac320b15-9
0.426
PET-UNK-ac320b15-10
0.426
MAT-POS-8293a91a-2
0.426
MAT-POS-8293a91a-6
0.426
MAT-POS-7174c657-6
0.426
ROB-UNI-30edb307-1
0.426
PET-UNK-1320d94d-27
0.426
EDJ-MED-ee07cf00-9
0.426
EDJ-MED-ee07cf00-13
0.426
MAT-POS-8293a91a-7
0.426
EDJ-MED-ee07cf00-7
0.426
EDJ-MED-ee07cf00-11
0.426
MAT-POS-7174c657-5
0.426