Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cc(C)c2nc(C(=O)NCC(=O)Nc3cnccc3C)sc2c1 |
| MW: | 354.435 |
| Fraction sp3: | 0.22 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 83.98 |
| cLogP: | 2.98506 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Dipeptide
MAK-UNK-6435e6c2-8
MAT-POS-590ac91e-11
0.440
GAB-REV-70cc3ca5-13
0.439
MAK-UNK-6ca90168-26
0.417
ALE-HEI-f28a35b5-3
0.412
GAB-REV-70cc3ca5-2
0.409
GAB-REV-70cc3ca5-5
0.409
ASH-SAT-43770c7d-9
0.400
MIH-UNI-6b9ca91a-1
0.395
GAB-REV-70cc3ca5-21
0.395
JAN-GHE-83b26c96-11
0.392
EDJ-MED-c9f55a56-1
0.390
ALE-HEI-f28a35b5-12
0.385
JAN-GHE-83b26c96-13
0.381
GAB-REV-70cc3ca5-20
0.381
BEN-DND-93268d01-11
0.378
JAN-GHE-83b26c96-12
0.376
TRY-UNI-714a760b-5
0.375
RAL-THA-6b94ceba-5
0.374
BEN-DND-93268d01-10
0.373
AAR-POS-d2a4d1df-3
0.371
MAK-UNK-6435e6c2-8
0.371
MAT-POS-c9973a83-1
0.371
GAB-REV-70cc3ca5-3
0.371
PET-SGC-6e7c5dc0-1
0.370
MAT-POS-590ac91e-6
0.370
RAL-THA-6b94ceba-14
0.370
GAB-REV-70cc3ca5-15
0.370
MAT-POS-590ac91e-15
0.369
TRY-UNI-2eddb1ff-2
0.369
EDG-MED-0da5ad92-8
0.369
EDJ-MED-e58735b6-1
0.368
BEN-DND-22e6b372-3
0.368
ALE-HEI-f28a35b5-13
0.367
MAT-POS-590ac91e-7
0.366
MAT-POS-590ac91e-9
0.366
EDJ-MED-e58735b6-2
0.365
BEN-DND-93268d01-5
0.365
ALP-POS-95b75b4d-2
0.365
TRY-UNI-714a760b-6
0.365
EDJ-MED-3c65e9ce-4
0.365
RAL-THA-6b94ceba-13
0.363
RAL-THA-6b94ceba-7
0.363
VLA-UCB-00f2c2b3-2
0.363
GAB-REV-70cc3ca5-9
0.363
RAL-THA-6b94ceba-9
0.362
BEN-DND-93268d01-9
0.361
MAT-POS-590ac91e-23
0.361
ALE-HEI-f28a35b5-6
0.361
EDG-MED-0da5ad92-4
0.361
TRY-UNI-714a760b-10
0.361
BEN-DND-09b88bf4-5
0.361
RAL-THA-901e9a10-1
0.361
ALP-POS-95b75b4d-1
0.360
MAK-UNK-372b0df5-3
0.360
BEN-DND-93268d01-4
0.360
BAR-COM-0f94fc3d-41
0.359
RAL-THA-6b94ceba-15
0.359
GAB-REV-70cc3ca5-12
0.358
MAT-POS-590ac91e-26
0.357
MAT-POS-590ac91e-24
0.357
ALE-HEI-f28a35b5-10
0.357
MAT-POS-590ac91e-10
0.357
NAU-LAT-3f5f3993-5
0.356
BEN-DND-6de5dfa0-3
0.356
BEN-DND-09b88bf4-3
0.356
EDJ-MED-e58735b6-3
0.356
DAR-DIA-0cde14eb-79
0.356
RAL-THA-6b94ceba-6
0.356
BAR-COM-0f94fc3d-18
0.355
GAB-REV-70cc3ca5-17
0.355
WIL-MOD-03b86a88-3
0.355
WIL-MOD-03b86a88-5
0.355
RAL-THA-6b94ceba-12
0.355
RAL-THA-6b94ceba-16
0.355
RAL-THA-901e9a10-8
0.354
BEN-DND-93268d01-8
0.353
EDJ-MED-3c65e9ce-1
0.353
JOH-UNI-abfda500-6
0.353
MAT-POS-590ac91e-17
0.353
ANN-UNI-98d2bf15-1
0.353
BEN-DND-09b88bf4-2
0.352
BEN-DND-6de5dfa0-1
0.352
BEN-DND-03406596-7
0.352
ANN-UNI-98d2bf15-5
0.352
DAR-DIA-0cde14eb-64
0.352
PED-UNI-292b67d6-1
0.352
PET-SGC-2e937068-1
0.352
WIL-MOD-03b86a88-6
0.351
NAU-LAT-0543f7f2-7
0.351
PET-SGC-83d43576-1
0.351
GAB-REV-70cc3ca5-7
0.351
RAL-THA-6b94ceba-8
0.351
ENA-ENA-cf881d10-1
0.351
ALE-HEI-f28a35b5-2
0.349
BEN-DND-93268d01-13
0.349
ALP-POS-95b75b4d-3
0.348
DAR-DIA-0cde14eb-76
0.348
JAN-GHE-83b26c96-14
0.348
ALP-POS-f13221e1-4
0.348
TRY-UNI-2eddb1ff-1
0.348