Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(c1cccc(Cl)c1)N1CCC(N2CCCCC2)CC1 |
MW: | 462.22 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 5.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-5a93dd5f-12
0.800
MIC-UNK-5a93dd5f-8
0.719
MIC-UNK-5a93dd5f-4
0.714
MIC-UNK-5a93dd5f-6
0.696
MIC-UNK-6ab519a7-1
0.682
NIR-THE-590dedc7-1
0.682
NAU-LAT-a5c7d7cb-2
0.682
MIC-UNK-5a93dd5f-10
0.682
MIC-UNK-5a93dd5f-1
0.670
MIC-UNK-5a93dd5f-2
0.670
MIC-UNK-5a93dd5f-9
0.660
MIC-UNK-5a93dd5f-5
0.656
MIC-UNK-5a93dd5f-3
0.649
MIC-UNK-5a93dd5f-7
0.633
MIC-UNK-c66144cb-3
0.545
ALP-POS-3b848b35-4
0.545
MIC-UNK-cdc2493e-13
0.544
VLA-UNK-9a7dc93f-7
0.533
EDJ-MED-cf4b0d25-4
0.532
JOH-UNI-3fc3434e-6
0.521
JOH-UNI-ee5ed7c8-6
0.521
EDJ-MED-ee07cf00-4
0.510
EDJ-MED-cf4b0d25-3
0.510
MIC-UNK-cdc2493e-14
0.505
PET-UNK-1320d94d-7
0.505
PET-UNK-1320d94d-8
0.505
MAT-POS-7174c657-5
0.500
PET-UNK-ac320b15-5
0.500
PET-UNK-ac320b15-8
0.500
PET-UNK-ac320b15-9
0.500
PET-UNK-ac320b15-10
0.500
PET-UNK-ac320b15-7
0.500
MAT-POS-8293a91a-6
0.500
MAT-POS-7174c657-6
0.500
MAT-POS-a13804f0-4
0.500
MAT-POS-8293a91a-2
0.500
MAT-POS-8293a91a-7
0.500
PET-UNK-ac320b15-6
0.500
EDJ-MED-ee07cf00-11
0.500
PET-UNK-1320d94d-9
0.496
PET-UNK-1320d94d-10
0.496
PET-UNK-1320d94d-5
0.495
PET-UNK-1320d94d-6
0.495
EDJ-MED-ee07cf00-18
0.491
PET-UNK-1320d94d-27
0.487
PET-UNK-1320d94d-28
0.487
EDJ-MED-cf4b0d25-1
0.486
MIC-UNK-c66144cb-2
0.485
MIC-UNK-d36ab305-1
0.485
MIC-UNK-c66144cb-1
0.481
MAK-UNK-ffc90da7-7
0.476
EDJ-MED-cf4b0d25-2
0.474
PET-UNK-10339a1d-1
0.474
ALP-POS-a9ad2217-2
0.474
PET-UNK-1320d94d-25
0.470
PET-UNK-1320d94d-26
0.470
PET-UNK-1320d94d-1
0.468
PET-UNK-1320d94d-2
0.468
MAK-UNK-ffc90da7-1
0.467
MAK-UNK-c749d764-6
0.467
PET-UNK-1320d94d-29
0.466
PET-UNK-1320d94d-30
0.466
MIC-UNK-d36ab305-4
0.466
PET-UNK-1320d94d-21
0.464
PET-UNK-1320d94d-22
0.464
PET-UNK-1320d94d-3
0.462
PET-UNK-1320d94d-4
0.462
EDJ-MED-ee07cf00-13
0.461
MAT-POS-a13804f0-1
0.461
MAK-UNK-c749d764-22
0.460
MAK-UNK-ffc90da7-4
0.460
EDJ-MED-ee07cf00-16
0.456
MIC-UNK-cdc2493e-17
0.452
EDJ-MED-ee07cf00-7
0.448
EDJ-MED-ee07cf00-14
0.445
MAT-POS-d8472c4f-2
0.443
EDJ-MED-ee07cf00-1
0.443
VLA-UCB-05e51b3f-14
0.443
EDJ-MED-c314995a-1
0.443
PET-UNK-1320d94d-23
0.442
PET-UNK-1320d94d-24
0.442
MAK-UNK-919546f0-2
0.440
MAK-UNK-f481d203-3
0.440
MAK-UNK-f481d203-4
0.440
NAU-LAT-2fed8305-1
0.438
EDJ-MED-cf4b0d25-5
0.438
ADA-UCB-6c2cb422-1
0.436
EDJ-MED-ee07cf00-10
0.435
MIC-UNK-bcd487e9-2
0.434
EDJ-MED-ee07cf00-8
0.433
EDJ-MED-ee07cf00-6
0.433
MAT-POS-fce787c2-11
0.433
EDJ-MED-ee07cf00-12
0.430
EDJ-MED-ee07cf00-15
0.427
MAT-POS-de59a476-1
0.427
MAT-POS-fce787c2-4
0.427
MAT-POS-1f3f1a6f-1
0.427
MAT-POS-fce787c2-3
0.427
MIC-UNK-cdc2493e-18
0.426
DAR-DIA-0f2f46c9-12
0.425