Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C(CCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 406.18 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 41.99 |
cLogP: | 6.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-1
ALP-POS-3b848b35-4
1.000
MIC-UNK-c66144cb-2
0.641
MIC-UNK-c66144cb-1
0.634
JOH-UNI-3fc3434e-6
0.618
JOH-UNI-ee5ed7c8-6
0.618
MIC-UNK-5a93dd5f-2
0.579
MIC-UNK-5a93dd5f-1
0.562
EDJ-MED-c314995a-1
0.557
VLA-UCB-05e51b3f-14
0.557
MIC-UNK-5a93dd5f-11
0.545
EDJ-MED-cf4b0d25-4
0.543
MIC-UNK-5a93dd5f-8
0.541
MIC-UNK-5a93dd5f-4
0.540
NIR-THE-590dedc7-1
0.537
MIC-UNK-6ab519a7-1
0.537
MIC-UNK-5a93dd5f-10
0.537
NAU-LAT-a5c7d7cb-2
0.537
MIC-UNK-5a93dd5f-3
0.534
VLA-UCB-34f3ed0c-6
0.530
ALP-POS-3fc1724e-8
0.530
VLA-UNK-9a7dc93f-7
0.527
MIC-UNK-5a93dd5f-6
0.525
MIC-UNK-5a93dd5f-9
0.525
MIC-UNK-5a93dd5f-5
0.524
MIC-UNK-5a93dd5f-12
0.524
MIC-UNK-cdc2493e-1
0.520
EDJ-MED-cf4b0d25-3
0.520
MIC-UNK-bcd487e9-2
0.515
MAT-POS-fce787c2-11
0.505
EDJ-MED-ee07cf00-4
0.505
ADA-UCB-dc2b944c-17
0.505
MIC-UNK-5a93dd5f-7
0.505
EDJ-MED-cf4b0d25-5
0.500
MAK-UNK-c749d764-22
0.495
MAK-UNK-ffc90da7-4
0.495
MIC-UNK-d36ab305-1
0.495
PET-UNK-a17c93d1-1
0.490
ADA-UCB-dc2b944c-3
0.490
MAK-UNK-ffc90da7-1
0.490
MAK-UNK-c749d764-6
0.490
MIC-UNK-d36ab305-4
0.490
PET-UNK-1320d94d-21
0.486
PET-UNK-1320d94d-22
0.486
MAK-UNK-ffc90da7-7
0.485
EDJ-MED-cf4b0d25-1
0.482
MIC-UNK-bcd487e9-3
0.480
MAT-POS-d8472c4f-2
0.477
PET-UNK-1320d94d-1
0.477
PET-UNK-1320d94d-2
0.477
PET-UNK-1320d94d-8
0.473
PET-UNK-1320d94d-7
0.473
ADA-UCB-dc2b944c-2
0.472
EDJ-MED-cf4b0d25-2
0.470
MIC-UNK-c66144cb-6
0.467
PET-UNK-1320d94d-6
0.464
PET-UNK-1320d94d-5
0.464
NAU-LAT-2fed8305-1
0.462
ADA-UCB-6c2cb422-1
0.462
EDJ-MED-ee07cf00-18
0.460
MAT-POS-1f3f1a6f-4
0.460
MAT-POS-a13804f0-1
0.456
MAT-POS-a13804f0-4
0.456
EDJ-MED-ee07cf00-13
0.456
PET-UNK-ac320b15-5
0.456
PET-UNK-ac320b15-8
0.456
MAT-POS-8293a91a-7
0.456
EDJ-MED-ee07cf00-11
0.456
PET-UNK-ac320b15-6
0.456
PET-UNK-ac320b15-7
0.456
PET-UNK-ac320b15-9
0.456
PET-UNK-ac320b15-10
0.456
MAT-POS-8293a91a-2
0.456
MAT-POS-8293a91a-6
0.456
MAT-POS-7174c657-5
0.456
MAT-POS-7174c657-6
0.456
EDJ-MED-ee07cf00-10
0.455
EDJ-MED-ee07cf00-14
0.453
PET-UNK-1320d94d-9
0.452
PET-UNK-1320d94d-10
0.452
PET-UNK-1320d94d-25
0.452
PET-UNK-1320d94d-26
0.452
ALP-POS-ddb41b15-6
0.452
EDJ-MED-ee07cf00-12
0.450
MIC-UNK-cdc2493e-18
0.448
ALP-POS-f13221e1-3
0.447
PET-UNK-10339a1d-1
0.444
ALP-POS-a9ad2217-2
0.444
PET-UNK-1320d94d-28
0.443
PET-UNK-1320d94d-27
0.443
MAT-POS-173a45da-1
0.442
MIC-UNK-cdc2493e-5
0.442
VLA-UCB-05e51b3f-13
0.440
VLA-UCB-50c39ae8-10
0.440
DAR-DIA-6a508060-9
0.440
MIC-UNK-cdc2493e-2
0.439
MIC-UNK-cdc2493e-15
0.439
EDJ-MED-ee07cf00-16
0.439
EDJ-MED-ee07cf00-5
0.439
EDJ-MED-ee07cf00-1
0.439
MAT-POS-fce787c2-5
0.438