Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)N2CCCC2)O1)c1cccc(Cl)c1 |
MW: | 506.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAT-POS-a13804f0-4
PET-UNK-ac320b15-7
1.000
PET-UNK-ac320b15-8
1.000
PET-UNK-ac320b15-9
1.000
MAT-POS-a13804f0-4
1.000
MAT-POS-8293a91a-2
1.000
MAT-POS-8293a91a-6
1.000
MAT-POS-7174c657-6
1.000
MAT-POS-8293a91a-7
1.000
PET-UNK-ac320b15-6
1.000
PET-UNK-ac320b15-10
1.000
MAT-POS-7174c657-5
1.000
EDJ-MED-ee07cf00-11
1.000
PET-UNK-1320d94d-6
0.956
PET-UNK-1320d94d-5
0.956
PET-UNK-1320d94d-9
0.884
PET-UNK-1320d94d-10
0.884
PET-UNK-1320d94d-4
0.847
PET-UNK-1320d94d-3
0.847
ALP-POS-a9ad2217-1
0.798
PET-UNK-ac320b15-1
0.796
PET-UNK-ac320b15-2
0.796
PET-UNK-1320d94d-7
0.794
PET-UNK-1320d94d-8
0.794
PET-UNK-1320d94d-15
0.760
PET-UNK-1320d94d-16
0.760
PET-UNK-1320d94d-1
0.730
PET-UNK-1320d94d-2
0.730
PET-UNK-1320d94d-19
0.712
PET-UNK-1320d94d-20
0.712
EDJ-MED-cf4b0d25-2
0.692
PET-UNK-1320d94d-13
0.682
PET-UNK-1320d94d-14
0.682
EDJ-MED-cf4b0d25-3
0.670
PET-UNK-10339a1d-1
0.661
ALP-POS-a9ad2217-2
0.661
PET-UNK-ac320b15-4
0.647
PET-UNK-ac320b15-3
0.647
PET-UNK-1320d94d-17
0.632
PET-UNK-1320d94d-18
0.632
PET-UNK-1320d94d-25
0.627
PET-UNK-1320d94d-26
0.627
EDJ-MED-ee07cf00-4
0.606
EDJ-MED-cf4b0d25-1
0.606
PET-UNK-1320d94d-29
0.605
PET-UNK-1320d94d-30
0.605
EDJ-MED-cf4b0d25-4
0.604
EDJ-MED-ee07cf00-6
0.596
PET-UNK-1320d94d-27
0.575
PET-UNK-1320d94d-28
0.575
PET-UNK-1320d94d-11
0.573
PET-UNK-1320d94d-12
0.573
PET-UNK-1320d94d-23
0.564
PET-UNK-1320d94d-24
0.564
MAT-POS-a13804f0-1
0.561
EDJ-MED-ee07cf00-13
0.561
EDJ-MED-ee07cf00-14
0.542
EDJ-MED-ee07cf00-18
0.539
MAT-POS-d8472c4f-2
0.530
EDJ-MED-ee07cf00-12
0.518
EDJ-MED-cf4b0d25-5
0.513
MAT-POS-24589f88-11
0.512
ALP-UNI-dbbfd3db-6
0.512
EDJ-MED-ee07cf00-10
0.509
EDJ-MED-ee07cf00-7
0.508
EDJ-MED-ee07cf00-1
0.504
EDJ-MED-ee07cf00-16
0.504
EDJ-MED-ee07cf00-17
0.504
EDJ-MED-ee07cf00-2
0.504
PET-UNK-1320d94d-22
0.500
EDJ-MED-ee07cf00-15
0.500
PET-UNK-1320d94d-21
0.500
MIC-UNK-5a93dd5f-11
0.500
EDJ-MED-ee07cf00-9
0.496
MIC-UNK-5a93dd5f-4
0.495
MIC-UNK-5a93dd5f-8
0.495
EDJ-MED-ee07cf00-5
0.492
NAU-LAT-a5c7d7cb-2
0.491
NIR-THE-590dedc7-1
0.491
MIC-UNK-6ab519a7-1
0.491
MIC-UNK-5a93dd5f-10
0.491
MIC-UNK-5a93dd5f-1
0.486
MIC-UNK-5a93dd5f-2
0.486
MIC-UNK-5a93dd5f-12
0.483
MIC-UNK-5a93dd5f-5
0.482
MIC-UNK-5a93dd5f-6
0.482
MIC-UNK-5a93dd5f-9
0.482
EDJ-MED-ee07cf00-3
0.480
EDJ-MED-ee07cf00-8
0.480
MIC-UNK-5a93dd5f-3
0.478
VLA-UNK-9a7dc93f-7
0.466
MIC-UNK-5a93dd5f-7
0.466
JOH-UNI-3fc3434e-6
0.458
JOH-UNI-ee5ed7c8-6
0.458
MIC-UNK-c66144cb-3
0.456
ALP-POS-3b848b35-4
0.456
MAT-POS-1f3f1a6f-3
0.443
MIC-UNK-d36ab305-1
0.441
MAK-UNK-ffc90da7-4
0.434
MAK-UNK-c749d764-22
0.434
MAK-UNK-ffc90da7-7
0.434