Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(c1cccc(Cl)c1)N1CC2CCCCC2C1 |
MW: | 419.18 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 5.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-5a93dd5f-1
0.921
MIC-UNK-5a93dd5f-3
0.791
NAU-LAT-a5c7d7cb-2
0.711
MIC-UNK-6ab519a7-1
0.711
NIR-THE-590dedc7-1
0.711
MIC-UNK-5a93dd5f-10
0.711
MIC-UNK-5a93dd5f-8
0.690
MIC-UNK-5a93dd5f-9
0.685
MIC-UNK-5a93dd5f-7
0.674
MIC-UNK-5a93dd5f-11
0.670
MIC-UNK-5a93dd5f-4
0.667
MIC-UNK-5a93dd5f-6
0.667
MIC-UNK-5a93dd5f-5
0.663
MIC-UNK-5a93dd5f-12
0.660
ALP-POS-3b848b35-4
0.579
MIC-UNK-c66144cb-3
0.579
VLA-UNK-9a7dc93f-7
0.570
EDJ-MED-cf4b0d25-4
0.551
JOH-UNI-3fc3434e-6
0.538
JOH-UNI-ee5ed7c8-6
0.538
MIC-UNK-c66144cb-2
0.531
MIC-UNK-c66144cb-1
0.526
EDJ-MED-ee07cf00-4
0.525
EDJ-MED-cf4b0d25-3
0.525
MIC-UNK-d36ab305-1
0.500
MAK-UNK-c749d764-22
0.500
MAK-UNK-ffc90da7-4
0.500
PET-UNK-1320d94d-10
0.495
PET-UNK-1320d94d-9
0.495
PET-UNK-1320d94d-5
0.495
PET-UNK-1320d94d-6
0.495
MIC-UNK-d36ab305-4
0.495
PET-UNK-1320d94d-8
0.491
PET-UNK-1320d94d-7
0.491
PET-UNK-1320d94d-21
0.490
PET-UNK-1320d94d-22
0.490
MAK-UNK-ffc90da7-7
0.490
MIC-UNK-cdc2493e-5
0.490
EDJ-MED-cf4b0d25-2
0.486
EDJ-MED-ee07cf00-13
0.486
MAT-POS-a13804f0-1
0.486
EDJ-MED-ee07cf00-11
0.486
MAT-POS-8293a91a-7
0.486
MAT-POS-a13804f0-4
0.486
PET-UNK-ac320b15-5
0.486
PET-UNK-ac320b15-6
0.486
PET-UNK-ac320b15-9
0.486
MAT-POS-8293a91a-2
0.486
MAT-POS-8293a91a-6
0.486
MAT-POS-7174c657-5
0.486
PET-UNK-ac320b15-7
0.486
PET-UNK-ac320b15-10
0.486
MAT-POS-7174c657-6
0.486
PET-UNK-ac320b15-8
0.486
EDJ-MED-cf4b0d25-1
0.486
PET-UNK-1320d94d-25
0.482
PET-UNK-1320d94d-26
0.482
MAT-POS-d8472c4f-2
0.481
PET-UNK-1320d94d-2
0.481
PET-UNK-1320d94d-1
0.481
MAK-UNK-c749d764-6
0.480
MAK-UNK-ffc90da7-1
0.480
EDJ-MED-ee07cf00-18
0.477
MIC-UNK-bcd487e9-2
0.475
PET-UNK-10339a1d-1
0.473
ALP-POS-a9ad2217-2
0.473
PET-UNK-1320d94d-28
0.473
PET-UNK-1320d94d-27
0.473
MAT-POS-fce787c2-3
0.472
MAK-UNK-f481d203-4
0.471
MAK-UNK-f481d203-3
0.471
MAK-UNK-919546f0-2
0.471
MIC-UNK-bcd487e9-3
0.469
EDJ-MED-ee07cf00-6
0.469
EDJ-MED-ee07cf00-1
0.468
EDJ-MED-ee07cf00-12
0.467
ADA-UCB-6c2cb422-1
0.466
MIC-UNK-cdc2493e-18
0.465
PET-UNK-1320d94d-30
0.465
PET-UNK-1320d94d-29
0.465
MIC-UNK-cdc2493e-17
0.465
EDJ-MED-cf4b0d25-5
0.462
PET-UNK-1320d94d-3
0.460
PET-UNK-1320d94d-4
0.460
MIC-UNK-cdc2493e-4
0.460
EDJ-MED-ee07cf00-7
0.459
EDJ-MED-ee07cf00-10
0.459
MIC-UNK-cdc2493e-8
0.457
EDJ-MED-ee07cf00-14
0.456
MAT-POS-1f3f1a6f-1
0.456
ALP-POS-ddb41b15-6
0.456
VLA-UCB-05e51b3f-14
0.455
EDJ-MED-c314995a-1
0.455
EDJ-MED-ee07cf00-5
0.455
EDJ-MED-ee07cf00-16
0.455
PET-UNK-1320d94d-24
0.452
PET-UNK-1320d94d-23
0.452
NAU-LAT-2fed8305-1
0.451
ALP-POS-f13221e1-3
0.451
EDJ-MED-ee07cf00-15
0.450