Molecular Properties | |
SMILES: | CN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1 |
MW: | 536.18 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 101.07 |
cLogP: | 3.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-1320d94d-23
1.000
PET-UNK-1320d94d-26
0.878
PET-UNK-1320d94d-25
0.878
ALP-POS-a9ad2217-2
0.860
PET-UNK-10339a1d-1
0.860
PET-UNK-1320d94d-29
0.790
PET-UNK-1320d94d-30
0.790
PET-UNK-1320d94d-21
0.760
PET-UNK-1320d94d-22
0.760
PET-UNK-1320d94d-27
0.694
PET-UNK-1320d94d-28
0.694
PET-UNK-1320d94d-4
0.676
PET-UNK-1320d94d-3
0.676
PET-UNK-1320d94d-5
0.574
PET-UNK-1320d94d-6
0.574
PET-UNK-1320d94d-14
0.568
PET-UNK-1320d94d-13
0.568
PET-UNK-ac320b15-7
0.564
PET-UNK-ac320b15-10
0.564
MAT-POS-8293a91a-2
0.564
MAT-POS-8293a91a-7
0.564
MAT-POS-7174c657-6
0.564
EDJ-MED-ee07cf00-11
0.564
MAT-POS-a13804f0-4
0.564
PET-UNK-ac320b15-5
0.564
PET-UNK-ac320b15-6
0.564
PET-UNK-ac320b15-8
0.564
PET-UNK-ac320b15-9
0.564
MAT-POS-8293a91a-6
0.564
MAT-POS-7174c657-5
0.564
PET-UNK-1320d94d-1
0.534
PET-UNK-1320d94d-2
0.534
PET-UNK-1320d94d-9
0.533
PET-UNK-1320d94d-10
0.533
MIC-UNK-5a93dd5f-8
0.500
EDJ-MED-cf4b0d25-2
0.500
PET-UNK-1320d94d-8
0.492
PET-UNK-1320d94d-7
0.492
MIC-UNK-5a93dd5f-6
0.487
MIC-UNK-5a93dd5f-9
0.487
EDJ-MED-cf4b0d25-4
0.486
PET-UNK-1320d94d-15
0.484
PET-UNK-1320d94d-16
0.484
EDJ-MED-cf4b0d25-3
0.483
MIC-UNK-5a93dd5f-10
0.482
NAU-LAT-a5c7d7cb-2
0.482
NIR-THE-590dedc7-1
0.482
MIC-UNK-6ab519a7-1
0.482
ALP-POS-a9ad2217-1
0.476
PET-UNK-ac320b15-2
0.472
PET-UNK-ac320b15-1
0.472
MIC-UNK-5a93dd5f-7
0.471
MIC-UNK-5a93dd5f-4
0.462
VLA-UNK-9a7dc93f-7
0.458
MIC-UNK-5a93dd5f-1
0.452
MIC-UNK-5a93dd5f-2
0.452
MIC-UNK-5a93dd5f-5
0.450
MAT-POS-d8472c4f-2
0.448
PET-UNK-1320d94d-12
0.447
PET-UNK-1320d94d-11
0.447
EDJ-MED-ee07cf00-4
0.445
MAT-POS-1f3f1a6f-2
0.444
MIC-UNK-d36ab305-4
0.443
MIC-UNK-5a93dd5f-11
0.442
PET-UNK-1320d94d-19
0.441
PET-UNK-1320d94d-20
0.441
MAK-UNK-c749d764-22
0.440
MAK-UNK-ffc90da7-4
0.440
EDJ-MED-ee07cf00-6
0.438
MIC-UNK-5a93dd5f-3
0.434
MIC-UNK-cdc2493e-17
0.431
EDJ-MED-cf4b0d25-5
0.431
EDJ-MED-cf4b0d25-1
0.429
MIC-UNK-5a93dd5f-12
0.427
MAK-UNK-ffc90da7-7
0.427
MIC-UNK-c66144cb-3
0.425
ALP-POS-3b848b35-4
0.425
JOH-UNI-3fc3434e-6
0.425
JOH-UNI-ee5ed7c8-6
0.425
MIC-UNK-d36ab305-1
0.422
EDJ-MED-ee07cf00-18
0.422
MAK-UNK-ffc90da7-1
0.420
MAK-UNK-c749d764-6
0.420
MIC-UNK-cdc2493e-18
0.420
MAT-POS-a13804f0-1
0.419
EDJ-MED-ee07cf00-13
0.419
ALP-UNI-dbbfd3db-6
0.416
MAT-POS-24589f88-11
0.416
EDJ-MED-ee07cf00-1
0.414
PET-UNK-1320d94d-18
0.413
EDJ-MED-ee07cf00-12
0.413
PET-UNK-1320d94d-17
0.413
MIC-UNK-c66144cb-2
0.412
MIC-UNK-c66144cb-1
0.408
EDJ-MED-ee07cf00-7
0.408
EDJ-MED-ee07cf00-14
0.406
EDJ-MED-ee07cf00-15
0.400
MIC-UNK-cdc2493e-24
0.400
ADA-UCB-dc2b944c-18
0.398
MIC-UNK-cdc2493e-11
0.398