Molecular Properties | |
SMILES: | CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1)C(C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 520.19 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.84 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-a13804f0-4
ALP-POS-a9ad2217-2
1.000
PET-UNK-1320d94d-25
0.957
PET-UNK-1320d94d-26
0.957
PET-UNK-1320d94d-29
0.898
PET-UNK-1320d94d-30
0.898
PET-UNK-1320d94d-24
0.860
PET-UNK-1320d94d-23
0.860
PET-UNK-1320d94d-27
0.810
PET-UNK-1320d94d-28
0.810
PET-UNK-1320d94d-21
0.776
PET-UNK-1320d94d-22
0.776
MAT-POS-8293a91a-7
0.661
EDJ-MED-ee07cf00-11
0.661
MAT-POS-7174c657-5
0.661
PET-UNK-ac320b15-9
0.661
MAT-POS-7174c657-6
0.661
MAT-POS-a13804f0-4
0.661
PET-UNK-ac320b15-5
0.661
PET-UNK-ac320b15-6
0.661
PET-UNK-ac320b15-7
0.661
PET-UNK-ac320b15-8
0.661
PET-UNK-ac320b15-10
0.661
MAT-POS-8293a91a-2
0.661
MAT-POS-8293a91a-6
0.661
PET-UNK-1320d94d-6
0.627
PET-UNK-1320d94d-5
0.627
PET-UNK-1320d94d-9
0.611
PET-UNK-1320d94d-10
0.611
EDJ-MED-cf4b0d25-2
0.586
PET-UNK-1320d94d-7
0.580
PET-UNK-1320d94d-8
0.580
PET-UNK-1320d94d-4
0.573
PET-UNK-1320d94d-3
0.573
PET-UNK-ac320b15-2
0.557
PET-UNK-ac320b15-1
0.557
ALP-POS-a9ad2217-1
0.547
PET-UNK-1320d94d-1
0.544
PET-UNK-1320d94d-2
0.544
PET-UNK-1320d94d-15
0.517
PET-UNK-1320d94d-16
0.517
MIC-UNK-5a93dd5f-8
0.509
PET-UNK-1320d94d-19
0.508
PET-UNK-1320d94d-20
0.508
MIC-UNK-5a93dd5f-6
0.496
MIC-UNK-5a93dd5f-9
0.496
MIC-UNK-6ab519a7-1
0.491
NAU-LAT-a5c7d7cb-2
0.491
MIC-UNK-5a93dd5f-10
0.491
NIR-THE-590dedc7-1
0.491
EDJ-MED-cf4b0d25-1
0.483
EDJ-MED-cf4b0d25-4
0.481
PET-UNK-1320d94d-18
0.479
PET-UNK-1320d94d-17
0.479
MIC-UNK-5a93dd5f-7
0.479
EDJ-MED-cf4b0d25-3
0.478
EDJ-MED-ee07cf00-4
0.478
ALP-UNI-dbbfd3db-6
0.477
MAT-POS-24589f88-11
0.477
PET-UNK-1320d94d-13
0.476
PET-UNK-1320d94d-14
0.476
MIC-UNK-5a93dd5f-11
0.474
MIC-UNK-5a93dd5f-1
0.473
MIC-UNK-5a93dd5f-2
0.473
MIC-UNK-5a93dd5f-4
0.470
VLA-UNK-9a7dc93f-7
0.467
MIC-UNK-5a93dd5f-12
0.458
MIC-UNK-5a93dd5f-5
0.458
MAT-POS-d8472c4f-2
0.455
MIC-UNK-5a93dd5f-3
0.454
MIC-UNK-d36ab305-4
0.451
MAK-UNK-c749d764-22
0.447
MAK-UNK-ffc90da7-4
0.447
JOH-UNI-ee5ed7c8-6
0.445
JOH-UNI-3fc3434e-6
0.445
MIC-UNK-c66144cb-3
0.444
ALP-POS-3b848b35-4
0.444
PET-UNK-1320d94d-12
0.443
PET-UNK-1320d94d-11
0.443
ALP-POS-e4f7337d-1
0.440
MAT-POS-1f3f1a6f-2
0.439
MIC-UNK-cdc2493e-17
0.439
EDJ-MED-cf4b0d25-5
0.438
EDJ-MED-ee07cf00-13
0.437
MAT-POS-a13804f0-1
0.437
MAK-UNK-ffc90da7-7
0.435
EDJ-MED-ee07cf00-14
0.434
EDJ-MED-ee07cf00-6
0.434
MIC-UNK-d36ab305-1
0.430
EDJ-MED-ee07cf00-18
0.429
MAK-UNK-c749d764-6
0.427
MIC-UNK-cdc2493e-18
0.427
MAK-UNK-ffc90da7-1
0.427
PET-UNK-ac320b15-4
0.425
PET-UNK-ac320b15-3
0.425
EDJ-MED-ee07cf00-12
0.419
MIC-UNK-c66144cb-2
0.419
MIC-UNK-cdc2493e-11
0.417
MIC-UNK-c66144cb-1
0.415
EDJ-MED-ee07cf00-7
0.414
MIC-UNK-cdc2493e-12
0.410