Molecular Properties | |
SMILES: | O=C(N[C@@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 |
MW: | 522.17 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 109.86 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
PET-UNK-1320d94d-4
1.000
PET-UNK-1320d94d-5
0.865
PET-UNK-1320d94d-6
0.865
PET-UNK-ac320b15-9
0.847
EDJ-MED-ee07cf00-11
0.847
PET-UNK-ac320b15-5
0.847
MAT-POS-a13804f0-4
0.847
PET-UNK-ac320b15-6
0.847
PET-UNK-ac320b15-7
0.847
PET-UNK-ac320b15-8
0.847
PET-UNK-ac320b15-10
0.847
MAT-POS-8293a91a-2
0.847
MAT-POS-8293a91a-6
0.847
MAT-POS-8293a91a-7
0.847
MAT-POS-7174c657-5
0.847
MAT-POS-7174c657-6
0.847
PET-UNK-1320d94d-14
0.812
PET-UNK-1320d94d-13
0.812
PET-UNK-1320d94d-10
0.767
PET-UNK-1320d94d-9
0.767
PET-UNK-1320d94d-1
0.709
PET-UNK-1320d94d-2
0.709
PET-UNK-1320d94d-15
0.705
PET-UNK-1320d94d-16
0.705
ALP-POS-a9ad2217-1
0.692
PET-UNK-1320d94d-23
0.676
PET-UNK-1320d94d-24
0.676
PET-UNK-ac320b15-1
0.673
PET-UNK-ac320b15-2
0.673
PET-UNK-1320d94d-7
0.670
PET-UNK-1320d94d-8
0.670
EDJ-MED-cf4b0d25-3
0.667
PET-UNK-1320d94d-19
0.616
PET-UNK-1320d94d-20
0.616
EDJ-MED-cf4b0d25-4
0.602
EDJ-MED-ee07cf00-6
0.595
EDJ-MED-cf4b0d25-2
0.586
PET-UNK-1320d94d-25
0.583
PET-UNK-1320d94d-26
0.583
ALP-POS-a9ad2217-2
0.573
PET-UNK-10339a1d-1
0.573
PET-UNK-1320d94d-12
0.571
PET-UNK-1320d94d-11
0.571
EDJ-MED-ee07cf00-4
0.560
PET-UNK-1320d94d-18
0.544
PET-UNK-1320d94d-17
0.544
PET-UNK-ac320b15-4
0.541
PET-UNK-ac320b15-3
0.541
PET-UNK-1320d94d-29
0.537
PET-UNK-1320d94d-30
0.537
EDJ-MED-cf4b0d25-1
0.534
EDJ-MED-ee07cf00-13
0.534
MAT-POS-a13804f0-1
0.534
EDJ-MED-ee07cf00-18
0.525
MAT-POS-d8472c4f-2
0.517
EDJ-MED-ee07cf00-12
0.504
EDJ-MED-ee07cf00-1
0.504
EDJ-MED-ee07cf00-14
0.504
EDJ-MED-ee07cf00-15
0.500
EDJ-MED-cf4b0d25-5
0.500
PET-UNK-1320d94d-22
0.500
PET-UNK-1320d94d-21
0.500
PET-UNK-1320d94d-28
0.496
EDJ-MED-ee07cf00-7
0.496
EDJ-MED-ee07cf00-9
0.496
PET-UNK-1320d94d-27
0.496
EDJ-MED-ee07cf00-10
0.496
EDJ-MED-ee07cf00-17
0.492
EDJ-MED-ee07cf00-5
0.492
EDJ-MED-ee07cf00-16
0.492
MIC-UNK-5a93dd5f-4
0.482
MIC-UNK-5a93dd5f-8
0.482
EDJ-MED-ee07cf00-2
0.480
MIC-UNK-5a93dd5f-10
0.477
NIR-THE-590dedc7-1
0.477
MIC-UNK-6ab519a7-1
0.477
NAU-LAT-a5c7d7cb-2
0.477
MIC-UNK-5a93dd5f-5
0.470
MIC-UNK-5a93dd5f-6
0.470
MIC-UNK-5a93dd5f-9
0.470
EDJ-MED-ee07cf00-3
0.469
EDJ-MED-ee07cf00-8
0.468
MIC-UNK-5a93dd5f-11
0.462
MIC-UNK-5a93dd5f-1
0.460
MIC-UNK-5a93dd5f-2
0.460
MAT-POS-1f3f1a6f-3
0.458
MAT-POS-24589f88-11
0.455
ALP-UNI-dbbfd3db-6
0.455
MIC-UNK-5a93dd5f-3
0.454
MIC-UNK-5a93dd5f-7
0.454
VLA-UNK-9a7dc93f-7
0.453
MIC-UNK-5a93dd5f-12
0.446
MAT-POS-1f3f1a6f-4
0.438
JOH-UNI-3fc3434e-6
0.432
JOH-UNI-ee5ed7c8-6
0.432
ALP-POS-3b848b35-4
0.432
MIC-UNK-c66144cb-3
0.432
MIC-UNK-d36ab305-1
0.430
MAK-UNK-c749d764-22
0.424
MAK-UNK-ffc90da7-4
0.424