Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H](c1ccsc1)N1CCC(O)CC1 |
MW: | 331.441 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 65.46 |
cLogP: | 2.58802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-902cc841-17
0.726
PET-SGC-a8a902d9-1
0.642
ALP-POS-90c18d1d-1
0.483
MAK-UNK-902cc841-15
0.471
SAM-UNK-2684b532-10
0.466
TRY-UNI-9f475305-2
0.463
VLA-UCB-05e51b3f-2
0.461
NAU-LAT-a5c7d7cb-3
0.461
MAT-POS-590ac91e-5
0.442
PET-SGC-01d224dd-1
0.436
TRY-UNI-9f475305-5
0.436
TRY-UNI-714a760b-16
0.425
BEN-DND-6de5dfa0-10
0.425
SAM-UNK-2684b532-8
0.411
MAT-POS-590ac91e-13
0.408
MAT-POS-590ac91e-1
0.405
ERI-UCB-5b47150d-1
0.405
MAT-POS-590ac91e-2
0.405
TRY-UNI-9f475305-4
0.404
NAU-LAT-3f5f3993-2
0.402
SAM-UNK-2684b532-9
0.402
MIH-UNI-6b9ca91a-1
0.400
NAU-LAT-3f5f3993-1
0.400
DAR-DIA-0cde14eb-70
0.398
MAT-POS-590ac91e-14
0.398
ASH-UNK-40b46b30-8
0.394
TRY-UNI-714a760b-17
0.388
AHN-SAT-202241f6-1
0.388
MAT-POS-590ac91e-7
0.388
TRY-UNI-714a760b-11
0.388
ALE-HEI-f28a35b5-7
0.388
EDJ-MED-3c65e9ce-4
0.386
BEN-DND-93268d01-14
0.386
MAK-UNK-7264f48c-5
0.385
MAK-UNK-902cc841-18
0.385
MAT-POS-5d20d11c-1
0.385
MAT-POS-590ac91e-16
0.385
BEN-DND-93268d01-9
0.383
BEN-DND-09b88bf4-5
0.383
TRY-UNI-714a760b-10
0.383
ALE-HEI-f28a35b5-6
0.383
ABI-SAT-4d06482b-1
0.383
EDG-MED-0da5ad92-4
0.383
DOU-UNK-b5326f8f-18
0.381
ALE-HEI-f28a35b5-17
0.380
SCO-VAN-260d9628-1
0.380
BEN-DND-93268d01-3
0.378
DAR-DIA-0cde14eb-73
0.378
DAR-DIA-0cde14eb-72
0.378
AAR-POS-d2a4d1df-3
0.377
MAK-UNK-6435e6c2-8
0.377
MAT-POS-590ac91e-18
0.375
DAR-DIA-0cde14eb-71
0.374
BEN-DND-93268d01-8
0.373
EDJ-MED-3c65e9ce-1
0.373
MAK-UNK-7264f48c-4
0.372
PET-SGC-a3e47117-1
0.372
TRY-UNI-2eddb1ff-8
0.371
TRY-UNI-9f475305-1
0.370
MAK-UNK-6ca90168-27
0.370
DAN-RED-da448e80-17
0.367
BEN-DND-93268d01-11
0.366
TRY-UNI-2eddb1ff-3
0.365
BEN-DND-22e6b372-4
0.365
MAK-UNK-7264f48c-3
0.365
BEN-DND-6de5dfa0-14
0.364
BEN-DND-22e6b372-2
0.364
DAR-DIA-0cde14eb-65
0.364
DAR-DIA-0cde14eb-75
0.362
BEN-DND-93268d01-10
0.361
MAT-POS-590ac91e-26
0.361
BEN-DND-93268d01-2
0.360
BEN-DND-6de5dfa0-15
0.360
MAK-UNK-f203cb68-14
0.359
ASH-UNK-40b46b30-16
0.359
MAT-POS-590ac91e-19
0.358
NAU-LAT-3f5f3993-10
0.358
MAT-POS-590ac91e-21
0.357
TRY-UNI-bbd40bb4-5
0.357
SEB-EST-28768d06-1
0.357
TRY-UNI-714a760b-18
0.356
BEN-DND-6de5dfa0-4
0.356
BEN-DND-03406596-7
0.356
BEN-DND-09b88bf4-4
0.356
TRY-UNI-2eddb1ff-5
0.356
BEN-DND-09b88bf4-2
0.356
JAN-GHE-83b26c96-4
0.356
TRY-UNI-2eddb1ff-4
0.356
JAN-GHE-83b26c96-5
0.356
BEN-DND-6de5dfa0-1
0.356
BEN-DND-22e6b372-3
0.356
DAR-DIA-0cde14eb-61
0.356
TRY-UNI-714a760b-22
0.356
BEN-DND-22e6b372-1
0.356
DAR-DIA-0cde14eb-13
0.355
ALE-HEI-f28a35b5-13
0.354
MAK-UNK-7264f48c-6
0.354
EDG-MED-0da5ad92-5
0.352
JAN-GHE-83b26c96-9
0.352
ASH-SAT-43770c7d-9
0.351