Molecular Properties | |
SMILES: | O=C(N[C@@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1)[C@@H]1CC[C@H](C(=O)N2CCC2)O1 |
MW: | 492.16 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
PET-UNK-1320d94d-6
1.000
PET-UNK-ac320b15-8
0.956
MAT-POS-8293a91a-2
0.956
MAT-POS-8293a91a-6
0.956
MAT-POS-7174c657-6
0.956
MAT-POS-a13804f0-4
0.956
PET-UNK-ac320b15-10
0.956
PET-UNK-ac320b15-5
0.956
PET-UNK-ac320b15-6
0.956
PET-UNK-ac320b15-7
0.956
PET-UNK-ac320b15-9
0.956
MAT-POS-8293a91a-7
0.956
MAT-POS-7174c657-5
0.956
EDJ-MED-ee07cf00-11
0.956
PET-UNK-1320d94d-4
0.865
PET-UNK-1320d94d-3
0.865
PET-UNK-1320d94d-10
0.844
PET-UNK-1320d94d-9
0.844
PET-UNK-1320d94d-15
0.794
PET-UNK-1320d94d-16
0.794
ALP-POS-a9ad2217-1
0.760
PET-UNK-ac320b15-2
0.758
PET-UNK-ac320b15-1
0.758
PET-UNK-1320d94d-8
0.755
PET-UNK-1320d94d-7
0.755
PET-UNK-1320d94d-1
0.745
PET-UNK-1320d94d-2
0.745
PET-UNK-1320d94d-13
0.695
PET-UNK-1320d94d-14
0.695
EDJ-MED-cf4b0d25-3
0.684
PET-UNK-1320d94d-19
0.676
PET-UNK-1320d94d-20
0.676
EDJ-MED-cf4b0d25-2
0.657
PET-UNK-1320d94d-25
0.654
PET-UNK-1320d94d-26
0.654
ALP-POS-a9ad2217-2
0.627
PET-UNK-10339a1d-1
0.627
EDJ-MED-cf4b0d25-4
0.617
PET-UNK-ac320b15-3
0.612
PET-UNK-ac320b15-4
0.612
EDJ-MED-ee07cf00-6
0.607
EDJ-MED-ee07cf00-4
0.602
PET-UNK-1320d94d-17
0.598
PET-UNK-1320d94d-18
0.598
EDJ-MED-cf4b0d25-1
0.587
PET-UNK-1320d94d-11
0.583
PET-UNK-1320d94d-12
0.583
PET-UNK-1320d94d-23
0.574
PET-UNK-1320d94d-29
0.574
PET-UNK-1320d94d-24
0.574
PET-UNK-1320d94d-30
0.574
MAT-POS-a13804f0-1
0.558
EDJ-MED-ee07cf00-13
0.558
EDJ-MED-ee07cf00-18
0.549
PET-UNK-1320d94d-27
0.544
PET-UNK-1320d94d-28
0.544
MAT-POS-d8472c4f-2
0.540
EDJ-MED-ee07cf00-14
0.538
EDJ-MED-ee07cf00-12
0.527
EDJ-MED-cf4b0d25-5
0.523
EDJ-MED-ee07cf00-10
0.518
EDJ-MED-ee07cf00-7
0.517
EDJ-MED-ee07cf00-16
0.513
EDJ-MED-ee07cf00-1
0.513
EDJ-MED-ee07cf00-17
0.513
EDJ-MED-ee07cf00-2
0.512
PET-UNK-1320d94d-21
0.509
PET-UNK-1320d94d-22
0.509
EDJ-MED-ee07cf00-15
0.509
MIC-UNK-5a93dd5f-8
0.505
MIC-UNK-5a93dd5f-4
0.505
EDJ-MED-ee07cf00-9
0.504
MIC-UNK-5a93dd5f-10
0.500
NIR-THE-590dedc7-1
0.500
NAU-LAT-a5c7d7cb-2
0.500
MIC-UNK-6ab519a7-1
0.500
EDJ-MED-ee07cf00-5
0.500
MIC-UNK-5a93dd5f-11
0.495
MIC-UNK-5a93dd5f-2
0.495
MIC-UNK-5a93dd5f-1
0.495
MIC-UNK-5a93dd5f-5
0.491
MIC-UNK-5a93dd5f-6
0.491
MIC-UNK-5a93dd5f-9
0.491
EDJ-MED-ee07cf00-3
0.488
EDJ-MED-ee07cf00-8
0.488
MIC-UNK-5a93dd5f-3
0.487
MAT-POS-24589f88-11
0.484
ALP-UNI-dbbfd3db-6
0.484
MIC-UNK-5a93dd5f-12
0.478
VLA-UNK-9a7dc93f-7
0.475
MIC-UNK-5a93dd5f-7
0.474
JOH-UNI-3fc3434e-6
0.467
JOH-UNI-ee5ed7c8-6
0.467
ALP-POS-3b848b35-4
0.464
MIC-UNK-c66144cb-3
0.464
MAT-POS-1f3f1a6f-3
0.452
MIC-UNK-d36ab305-1
0.450
MAK-UNK-ffc90da7-4
0.442
MAK-UNK-c749d764-22
0.442
MAK-UNK-ffc90da7-7
0.441