Molecular Properties | |
SMILES: | O=C(N[C@@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1)[C@@H]1CCC[C@H](C(=O)N2CCCC2)O1 |
MW: | 520.19 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
PET-UNK-1320d94d-10
1.000
MAT-POS-7174c657-6
0.884
PET-UNK-ac320b15-8
0.884
EDJ-MED-ee07cf00-11
0.884
MAT-POS-8293a91a-7
0.884
MAT-POS-a13804f0-4
0.884
PET-UNK-ac320b15-5
0.884
PET-UNK-ac320b15-6
0.884
PET-UNK-ac320b15-9
0.884
MAT-POS-8293a91a-2
0.884
MAT-POS-8293a91a-6
0.884
MAT-POS-7174c657-5
0.884
PET-UNK-ac320b15-7
0.884
PET-UNK-ac320b15-10
0.884
PET-UNK-1320d94d-6
0.844
PET-UNK-1320d94d-5
0.844
PET-UNK-1320d94d-19
0.808
PET-UNK-1320d94d-20
0.808
PET-UNK-1320d94d-8
0.786
PET-UNK-1320d94d-7
0.786
PET-UNK-1320d94d-3
0.767
PET-UNK-1320d94d-4
0.767
ALP-POS-a9ad2217-1
0.721
PET-UNK-ac320b15-1
0.702
PET-UNK-ac320b15-2
0.702
PET-UNK-1320d94d-16
0.686
PET-UNK-1320d94d-15
0.686
EDJ-MED-cf4b0d25-3
0.680
PET-UNK-1320d94d-1
0.673
PET-UNK-1320d94d-2
0.673
EDJ-MED-cf4b0d25-2
0.670
PET-UNK-1320d94d-29
0.658
PET-UNK-1320d94d-30
0.658
PET-UNK-1320d94d-17
0.642
PET-UNK-1320d94d-18
0.642
PET-UNK-1320d94d-13
0.616
PET-UNK-1320d94d-14
0.616
EDJ-MED-ee07cf00-4
0.615
PET-UNK-10339a1d-1
0.611
ALP-POS-a9ad2217-2
0.611
EDJ-MED-cf4b0d25-1
0.600
EDJ-MED-cf4b0d25-4
0.598
PET-UNK-1320d94d-26
0.579
PET-UNK-1320d94d-25
0.579
PET-UNK-1320d94d-28
0.570
PET-UNK-1320d94d-27
0.570
PET-UNK-ac320b15-4
0.565
PET-UNK-ac320b15-3
0.565
EDJ-MED-ee07cf00-6
0.564
EDJ-MED-ee07cf00-13
0.557
MAT-POS-a13804f0-1
0.557
PET-UNK-1320d94d-12
0.540
PET-UNK-1320d94d-11
0.540
EDJ-MED-ee07cf00-14
0.538
EDJ-MED-ee07cf00-18
0.534
PET-UNK-1320d94d-24
0.533
PET-UNK-1320d94d-23
0.533
EDJ-MED-ee07cf00-12
0.513
MAT-POS-d8472c4f-2
0.513
MIC-UNK-5a93dd5f-1
0.509
EDJ-MED-cf4b0d25-5
0.509
EDJ-MED-ee07cf00-10
0.504
EDJ-MED-ee07cf00-7
0.504
EDJ-MED-ee07cf00-1
0.500
EDJ-MED-ee07cf00-2
0.500
EDJ-MED-ee07cf00-17
0.500
EDJ-MED-ee07cf00-5
0.500
EDJ-MED-ee07cf00-16
0.500
EDJ-MED-ee07cf00-15
0.496
MIC-UNK-5a93dd5f-11
0.496
MIC-UNK-5a93dd5f-2
0.495
EDJ-MED-ee07cf00-9
0.492
MIC-UNK-5a93dd5f-12
0.491
MIC-UNK-5a93dd5f-4
0.491
MIC-UNK-5a93dd5f-8
0.491
MIC-UNK-5a93dd5f-3
0.487
NAU-LAT-a5c7d7cb-2
0.486
MIC-UNK-6ab519a7-1
0.486
NIR-THE-590dedc7-1
0.486
MIC-UNK-5a93dd5f-10
0.486
PET-UNK-1320d94d-21
0.483
PET-UNK-1320d94d-22
0.483
MIC-UNK-5a93dd5f-5
0.478
MIC-UNK-5a93dd5f-6
0.478
MIC-UNK-5a93dd5f-9
0.478
EDJ-MED-ee07cf00-3
0.476
EDJ-MED-ee07cf00-8
0.476
VLA-UNK-9a7dc93f-7
0.462
ALP-UNI-dbbfd3db-6
0.462
MIC-UNK-5a93dd5f-7
0.462
MAT-POS-24589f88-11
0.462
JOH-UNI-3fc3434e-6
0.454
JOH-UNI-ee5ed7c8-6
0.454
MAT-POS-1f3f1a6f-3
0.453
ALP-POS-3b848b35-4
0.452
MIC-UNK-c66144cb-3
0.452
MIC-UNK-c66144cb-2
0.439
MIC-UNK-d36ab305-1
0.438
MIC-UNK-c66144cb-1
0.435
MAT-POS-1f3f1a6f-4
0.432