Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(=O)Nc1cncc2ccccc12 |
MW: | 487.56 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 9 |
TPSA: | 129.29 |
cLogP: | 1.9317 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
ALE-HEI-f28a35b5-9
EDJ-MED-cf4b0d25-4
0.425
RAL-THA-2d450e86-1
0.392
VLA-UNK-9a7dc93f-7
0.383
MIC-UNK-5a93dd5f-4
0.381
MAK-UNK-919546f0-2
0.380
MAK-UNK-f481d203-4
0.380
MAK-UNK-f481d203-3
0.380
MAT-POS-1f3f1a6f-3
0.376
MIC-UNK-5a93dd5f-5
0.372
DAR-DIA-0587064e-21
0.370
EDJ-MED-ee07cf00-18
0.370
FRA-DIA-b66f7109-4
0.369
DAR-DIA-0587064e-18
0.368
EDJ-MED-ee07cf00-4
0.367
NIR-THE-d08c3b48-1
0.365
VLA-UCB-05e51b3f-1
0.365
NAU-LAT-a5c7d7cb-1
0.365
BEN-DND-6de5dfa0-11
0.365
ALP-POS-6747fa38-1
0.365
MIC-UNK-d36ab305-1
0.365
MIC-UNK-cdc2493e-3
0.365
EDJ-MED-12c4873b-5
0.365
RAL-THA-952697e1-3
0.365
RAL-THA-952697e1-4
0.365
MAT-POS-777f5926-2
0.365
EDJ-MED-fcba3f31-6
0.363
MIC-UNK-bcd487e9-1
0.363
EDJ-MED-ee07cf00-16
0.362
ALP-POS-3b848b35-2
0.361
MAT-POS-de59a476-6
0.361
MAT-POS-3b92565d-3
0.361
EDJ-MED-7320d5d2-1
0.361
MAT-POS-de59a476-2
0.361
YUN-WES-58b0dbae-8
0.361
YUN-WES-64c64eb2-6
0.361
VLA-UNK-9a7dc93f-6
0.360
VLA-UNK-9a7dc93f-5
0.360
PET-UNK-1320d94d-1
0.360
PET-UNK-1320d94d-2
0.360
MIC-UNK-5a93dd5f-10
0.360
NIR-THE-590dedc7-1
0.360
MIC-UNK-6ab519a7-1
0.360
NAU-LAT-a5c7d7cb-2
0.360
MAT-POS-1f3f1a6f-4
0.360
YUN-WES-64c64eb2-2
0.359
YUN-WES-58b0dbae-7
0.359
MAT-POS-fce787c2-3
0.358
MIC-UNK-5a93dd5f-6
0.358
EDJ-MED-ee07cf00-7
0.357
EDJ-MED-ee07cf00-9
0.357
EDJ-MED-ee07cf00-13
0.357
MAT-POS-a13804f0-1
0.357
PET-UNK-cf04cb02-1
0.356
MIC-UNK-5a93dd5f-8
0.356
EDJ-MED-cf4b0d25-3
0.355
EDJ-MED-43f8f7d6-7
0.355
EDJ-MED-12c4873b-6
0.355
RAL-THA-8f106089-3
0.355
PET-UNK-1320d94d-22
0.355
PET-UNK-1320d94d-21
0.355
RAL-THA-8f106089-4
0.355
EDJ-MED-ee07cf00-17
0.354
EDJ-MED-92e193ae-1
0.353
EDJ-MED-92e193ae-2
0.353
MIC-UNK-91acba05-5
0.353
ALP-POS-477dc5b7-2
0.353
RAL-THA-2d450e86-3
0.353
ADA-UCB-6c2cb422-1
0.352
ALF-EVA-650655fc-1
0.352
MAT-POS-fce787c2-11
0.352
EDJ-MED-ee07cf00-1
0.352
MAT-POS-d8472c4f-2
0.352
DAR-DIA-0cde14eb-46
0.351
LON-WEI-af038623-3
0.351
MIC-UNK-cdc2493e-17
0.350
MIC-UNK-cdc2493e-9
0.350
DAR-DIA-0587064e-6
0.350
YUN-WES-58b0dbae-1
0.349
RAL-THA-2d450e86-13
0.349
PET-UNK-c9c1e0d8-1
0.349
PET-UNK-b87f07d0-2
0.347
MIC-UNK-5a93dd5f-1
0.347
MIC-UNK-5a93dd5f-2
0.347
ALP-POS-3b848b35-4
0.347
MIC-UNK-5a93dd5f-9
0.347
MIC-UNK-c66144cb-3
0.347
MIC-UNK-5a93dd5f-7
0.347
DAR-DIA-d8bd013f-9
0.346
EDJ-MED-ee07cf00-8
0.346
EDJ-MED-ee07cf00-14
0.346
DAR-DIA-d8bd013f-10
0.346
MAT-POS-fce787c2-8
0.345
MAT-POS-1f3f1a6f-2
0.345
ALP-UNI-ba800595-1
0.345
MIC-UNK-c66144cb-2
0.345
ALF-EVA-82cf4849-5
0.345
EDJ-MED-50011917-2
0.344
EDJ-MED-cf4b0d25-5
0.344
EDJ-MED-cf4b0d25-1
0.344
ALP-POS-f13221e1-3
0.343