Molecular Properties | |
SMILES: | CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C(=O)Nc2cncc3ccccc23)c2ccc(Cl)c(Cl)c2)O1 |
MW: | 514.12 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
PET-UNK-1320d94d-11
1.000
PET-UNK-1320d94d-1
0.787
PET-UNK-1320d94d-2
0.787
PET-UNK-1320d94d-15
0.745
PET-UNK-1320d94d-16
0.745
ALP-POS-a9ad2217-1
0.730
PET-UNK-1320d94d-13
0.716
PET-UNK-1320d94d-14
0.716
PET-UNK-1320d94d-19
0.680
PET-UNK-1320d94d-20
0.680
PET-UNK-1320d94d-18
0.647
PET-UNK-1320d94d-17
0.647
MAT-POS-1f3f1a6f-3
0.644
MAT-POS-fce787c2-5
0.593
PET-UNK-1320d94d-6
0.583
PET-UNK-1320d94d-5
0.583
MAT-POS-1f3f1a6f-4
0.577
PET-UNK-ac320b15-8
0.573
MAT-POS-8293a91a-2
0.573
MAT-POS-8293a91a-6
0.573
EDJ-MED-ee07cf00-11
0.573
MAT-POS-7174c657-5
0.573
PET-UNK-ac320b15-5
0.573
PET-UNK-ac320b15-6
0.573
PET-UNK-ac320b15-7
0.573
PET-UNK-ac320b15-9
0.573
MAT-POS-8293a91a-7
0.573
MAT-POS-7174c657-6
0.573
PET-UNK-ac320b15-10
0.573
MAT-POS-a13804f0-4
0.573
PET-UNK-1320d94d-3
0.571
PET-UNK-1320d94d-4
0.571
PET-UNK-ac320b15-1
0.569
PET-UNK-ac320b15-2
0.569
MAT-POS-fce787c2-10
0.560
PET-UNK-1320d94d-22
0.551
PET-UNK-1320d94d-21
0.551
EDJ-MED-cf4b0d25-3
0.543
PET-UNK-1320d94d-9
0.540
PET-UNK-1320d94d-10
0.540
MAT-POS-1f3f1a6f-2
0.537
MAT-POS-fce787c2-3
0.527
MAT-POS-de59a476-2
0.510
PET-UNK-1320d94d-7
0.509
PET-UNK-1320d94d-8
0.509
MAT-POS-fce787c2-4
0.495
MAT-POS-de59a476-1
0.495
MAT-POS-1f3f1a6f-1
0.495
EDJ-MED-cf4b0d25-4
0.490
EDJ-MED-ee07cf00-6
0.487
MAT-POS-fce787c2-11
0.485
MAT-POS-fce787c2-8
0.475
EDJ-MED-ee07cf00-4
0.473
MAT-POS-de59a476-4
0.462
MAT-POS-de59a476-5
0.456
EDJ-MED-cf4b0d25-5
0.456
MAT-POS-de59a476-6
0.455
PET-UNK-1320d94d-26
0.450
PET-UNK-1320d94d-25
0.450
PET-UNK-1320d94d-24
0.447
PET-UNK-1320d94d-23
0.447
PET-UNK-10339a1d-1
0.443
ALP-POS-a9ad2217-2
0.443
EDJ-MED-ee07cf00-13
0.442
MAT-POS-a13804f0-1
0.442
MAT-POS-d8472c4f-2
0.437
PET-UNK-1320d94d-29
0.435
PET-UNK-1320d94d-30
0.435
VLA-UNK-9a7dc93f-6
0.433
MIC-UNK-5a93dd5f-8
0.423
JUL-TUD-06b2044f-54
0.422
EDJ-MED-ee07cf00-18
0.421
RAL-THA-05e671eb-2
0.417
EDJ-MED-ee07cf00-10
0.417
RYA-UNI-6d7114fd-1
0.417
ALP-POS-869ac754-1
0.417
MIC-UNK-5a93dd5f-6
0.412
MIC-UNK-5a93dd5f-9
0.412
EDJ-MED-ee07cf00-12
0.412
DAR-DIA-0cde14eb-56
0.411
MAT-POS-de59a476-3
0.408
EDJ-MED-cf4b0d25-2
0.408
PET-UNK-1320d94d-28
0.407
PET-UNK-1320d94d-27
0.407
EDJ-MED-ee07cf00-7
0.407
EDJ-MED-ee07cf00-2
0.406
VLA-UNK-9a7dc93f-5
0.406
RAL-THA-05e671eb-28
0.405
EDJ-MED-cf4b0d25-1
0.405
EDJ-MED-ee07cf00-16
0.402
EDJ-MED-ee07cf00-1
0.402
MAT-POS-23a8a11a-1
0.400
MIC-UNK-8758c41d-1
0.400
MIC-UNK-5a93dd5f-4
0.400
EDJ-MED-ee07cf00-15
0.398
MIC-UNK-5a93dd5f-7
0.398
MIC-UNK-d36ab305-1
0.396
EDJ-MED-ee07cf00-14
0.394
RAL-THA-05e671eb-29
0.393
MIC-UNK-d36ab305-4
0.393