Molecular Properties | |
SMILES: | CN(C(=O)[C@@H]1CCC[C@H](C(=O)N2CCCC2)O1)[C@@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 534.2 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 91.84 |
cLogP: | 4.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-1320d94d-30
1.000
PET-UNK-10339a1d-1
0.898
ALP-POS-a9ad2217-2
0.898
PET-UNK-1320d94d-25
0.859
PET-UNK-1320d94d-26
0.859
PET-UNK-1320d94d-27
0.794
PET-UNK-1320d94d-28
0.794
PET-UNK-1320d94d-24
0.790
PET-UNK-1320d94d-23
0.790
PET-UNK-1320d94d-21
0.725
PET-UNK-1320d94d-22
0.725
PET-UNK-1320d94d-9
0.658
PET-UNK-1320d94d-10
0.658
PET-UNK-ac320b15-5
0.605
PET-UNK-ac320b15-8
0.605
MAT-POS-8293a91a-7
0.605
EDJ-MED-ee07cf00-11
0.605
PET-UNK-ac320b15-6
0.605
PET-UNK-ac320b15-7
0.605
PET-UNK-ac320b15-9
0.605
PET-UNK-ac320b15-10
0.605
MAT-POS-8293a91a-2
0.605
MAT-POS-8293a91a-6
0.605
MAT-POS-7174c657-5
0.605
MAT-POS-7174c657-6
0.605
MAT-POS-a13804f0-4
0.605
PET-UNK-1320d94d-6
0.574
PET-UNK-1320d94d-5
0.574
PET-UNK-1320d94d-8
0.570
PET-UNK-1320d94d-7
0.570
EDJ-MED-cf4b0d25-2
0.563
PET-UNK-1320d94d-20
0.551
PET-UNK-1320d94d-19
0.551
PET-UNK-1320d94d-3
0.537
PET-UNK-1320d94d-4
0.537
PET-UNK-1320d94d-1
0.521
PET-UNK-1320d94d-2
0.521
ALP-POS-a9ad2217-1
0.512
PET-UNK-ac320b15-1
0.508
PET-UNK-ac320b15-2
0.508
MIC-UNK-5a93dd5f-8
0.500
MIC-UNK-5a93dd5f-6
0.487
MIC-UNK-5a93dd5f-9
0.487
PET-UNK-1320d94d-15
0.484
PET-UNK-1320d94d-16
0.484
PET-UNK-1320d94d-17
0.483
PET-UNK-1320d94d-18
0.483
EDJ-MED-ee07cf00-4
0.483
EDJ-MED-cf4b0d25-3
0.483
NIR-THE-590dedc7-1
0.482
MIC-UNK-6ab519a7-1
0.482
MIC-UNK-5a93dd5f-10
0.482
NAU-LAT-a5c7d7cb-2
0.482
MIC-UNK-5a93dd5f-1
0.478
EDJ-MED-cf4b0d25-1
0.475
EDJ-MED-cf4b0d25-4
0.472
MIC-UNK-5a93dd5f-7
0.471
MIC-UNK-5a93dd5f-11
0.466
MIC-UNK-5a93dd5f-2
0.465
MIC-UNK-5a93dd5f-4
0.462
VLA-UNK-9a7dc93f-7
0.458
MIC-UNK-5a93dd5f-12
0.451
MIC-UNK-5a93dd5f-5
0.450
MIC-UNK-5a93dd5f-3
0.446
PET-UNK-1320d94d-13
0.445
PET-UNK-1320d94d-14
0.445
MAT-POS-1f3f1a6f-2
0.444
MIC-UNK-d36ab305-4
0.443
MAK-UNK-c749d764-22
0.440
MAK-UNK-ffc90da7-4
0.440
JOH-UNI-3fc3434e-6
0.438
JOH-UNI-ee5ed7c8-6
0.438
ALP-UNI-dbbfd3db-6
0.437
MAT-POS-24589f88-11
0.437
MIC-UNK-c66144cb-3
0.437
ALP-POS-3b848b35-4
0.437
MAT-POS-d8472c4f-2
0.437
PET-UNK-1320d94d-12
0.435
PET-UNK-1320d94d-11
0.435
MIC-UNK-cdc2493e-17
0.431
EDJ-MED-cf4b0d25-5
0.431
EDJ-MED-ee07cf00-13
0.430
MAT-POS-a13804f0-1
0.430
EDJ-MED-ee07cf00-14
0.427
MAK-UNK-ffc90da7-7
0.427
MIC-UNK-c66144cb-2
0.424
ALP-POS-e4f7337d-1
0.423
MIC-UNK-d36ab305-1
0.422
EDJ-MED-ee07cf00-18
0.422
MAK-UNK-c749d764-6
0.420
MIC-UNK-c66144cb-1
0.420
MIC-UNK-cdc2493e-18
0.420
MAK-UNK-ffc90da7-1
0.420
EDJ-MED-ee07cf00-6
0.417
MIC-UNK-cdc2493e-11
0.410
MIC-UNK-cdc2493e-12
0.403
MIC-UNK-cdc2493e-4
0.403
MIC-UNK-cdc2493e-13
0.403
EDJ-MED-ee07cf00-1
0.403
EDJ-MED-ee07cf00-12
0.402