Molecular Properties | |
SMILES: | O=C(N[C@@H](C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H](C(=O)N2CCCC2)O1 |
MW: | 554.15 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 4.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
PET-UNK-1320d94d-19
1.000
ALP-POS-a9ad2217-1
0.894
PET-UNK-1320d94d-15
0.853
PET-UNK-1320d94d-16
0.853
PET-UNK-1320d94d-9
0.808
PET-UNK-1320d94d-10
0.808
PET-UNK-1320d94d-18
0.802
PET-UNK-1320d94d-17
0.802
PET-UNK-1320d94d-14
0.765
PET-UNK-1320d94d-13
0.765
MAT-POS-a13804f0-4
0.712
PET-UNK-ac320b15-5
0.712
PET-UNK-ac320b15-10
0.712
PET-UNK-ac320b15-8
0.712
PET-UNK-ac320b15-9
0.712
MAT-POS-8293a91a-6
0.712
EDJ-MED-ee07cf00-11
0.712
MAT-POS-7174c657-5
0.712
MAT-POS-7174c657-6
0.712
PET-UNK-ac320b15-6
0.712
PET-UNK-ac320b15-7
0.712
MAT-POS-8293a91a-2
0.712
MAT-POS-8293a91a-7
0.712
PET-UNK-ac320b15-1
0.709
PET-UNK-ac320b15-2
0.709
PET-UNK-1320d94d-11
0.680
PET-UNK-1320d94d-12
0.680
PET-UNK-1320d94d-5
0.676
PET-UNK-1320d94d-6
0.676
PET-UNK-1320d94d-7
0.642
PET-UNK-1320d94d-8
0.642
PET-UNK-1320d94d-3
0.616
PET-UNK-1320d94d-4
0.616
MAT-POS-1f3f1a6f-3
0.594
PET-UNK-1320d94d-29
0.551
PET-UNK-1320d94d-30
0.551
MAT-POS-1f3f1a6f-4
0.549
MAT-POS-fce787c2-5
0.546
EDJ-MED-cf4b0d25-2
0.534
EDJ-MED-cf4b0d25-3
0.532
PET-UNK-1320d94d-1
0.531
PET-UNK-1320d94d-2
0.531
PET-UNK-10339a1d-1
0.508
ALP-POS-a9ad2217-2
0.508
MAT-POS-fce787c2-10
0.505
MAT-POS-fce787c2-3
0.485
PET-UNK-1320d94d-25
0.479
PET-UNK-1320d94d-26
0.479
EDJ-MED-ee07cf00-4
0.478
PET-UNK-1320d94d-27
0.471
PET-UNK-1320d94d-28
0.471
EDJ-MED-cf4b0d25-1
0.471
MAT-POS-1f3f1a6f-1
0.470
MAT-POS-fce787c2-4
0.470
MAT-POS-de59a476-1
0.470
MAT-POS-1f3f1a6f-2
0.466
MAT-POS-fce787c2-11
0.461
MAT-POS-de59a476-2
0.456
EDJ-MED-cf4b0d25-4
0.453
MAT-POS-fce787c2-8
0.452
EDJ-MED-ee07cf00-6
0.444
ALP-UNI-dbbfd3db-6
0.443
MAT-POS-24589f88-11
0.443
PET-UNK-1320d94d-23
0.441
PET-UNK-1320d94d-24
0.441
PET-UNK-ac320b15-3
0.436
PET-UNK-ac320b15-4
0.436
EDJ-MED-ee07cf00-13
0.435
MAT-POS-a13804f0-1
0.435
MAT-POS-de59a476-5
0.435
MAT-POS-de59a476-6
0.435
EDJ-MED-ee07cf00-14
0.433
MAT-POS-de59a476-4
0.427
EDJ-MED-ee07cf00-18
0.416
MAT-POS-de59a476-3
0.415
MIC-UNK-5a93dd5f-1
0.409
ALP-POS-e4f7337d-1
0.407
EDJ-MED-ee07cf00-12
0.407
JUL-TUD-06b2044f-54
0.404
EDJ-MED-ee07cf00-10
0.400
MIC-UNK-5a93dd5f-11
0.400
MIC-UNK-5a93dd5f-12
0.398
MAT-POS-d8472c4f-2
0.397
EDJ-MED-ee07cf00-16
0.397
MIC-UNK-5a93dd5f-2
0.397
MIC-UNK-5a93dd5f-4
0.395
EDJ-MED-ee07cf00-15
0.394
MIC-UNK-5a93dd5f-3
0.393
MIC-UNK-5a93dd5f-8
0.393
EDJ-MED-ee07cf00-2
0.391
EDJ-MED-ee07cf00-7
0.391
EDJ-MED-cf4b0d25-5
0.390
PET-UNK-1320d94d-22
0.390
PET-UNK-1320d94d-21
0.390
EDJ-MED-ee07cf00-17
0.388
VLA-UNK-9a7dc93f-6
0.387
VLA-UNK-9a7dc93f-5
0.387
MIC-UNK-5a93dd5f-10
0.386
NAU-LAT-a5c7d7cb-2
0.386
MIC-UNK-6ab519a7-1
0.386