Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC(c1ccsc1)N1CCC(O)CC1 |
MW: | 345.468 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 65.46 |
cLogP: | 2.97812 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-07-21 |
ALP-POS-90c18d1d-1
0.718
TRY-UNI-9f475305-2
0.674
MIH-UNI-6b9ca91a-2
0.642
MAK-UNK-902cc841-17
0.489
MAT-POS-590ac91e-7
0.487
MIH-UNI-6b9ca91a-1
0.444
MAT-POS-590ac91e-11
0.436
EDJ-MED-3c65e9ce-4
0.429
BEN-DND-93268d01-9
0.427
BEN-DND-09b88bf4-5
0.427
SAM-UNK-2684b532-9
0.426
SAM-UNK-2684b532-10
0.426
PET-SGC-a3e47117-1
0.426
BEN-DND-22e6b372-2
0.420
TRY-UNI-9f475305-1
0.420
DOU-UNK-b5326f8f-18
0.418
BEN-DND-6de5dfa0-15
0.416
MAK-UNK-6ca90168-26
0.413
BEN-DND-93268d01-11
0.410
BEN-DND-22e6b372-4
0.407
BEN-DND-93268d01-10
0.405
BEN-DND-6de5dfa0-14
0.404
ASH-UNK-40b46b30-8
0.402
MAK-UNK-7264f48c-3
0.402
EDJ-MED-3c65e9ce-1
0.400
BEN-DND-93268d01-8
0.400
BEN-DND-6de5dfa0-8
0.398
BEN-DND-6de5dfa0-1
0.398
BEN-DND-03406596-7
0.398
BEN-DND-6de5dfa0-4
0.398
BEN-DND-22e6b372-3
0.398
BEN-DND-09b88bf4-4
0.398
BEN-DND-09b88bf4-2
0.398
NIR-THE-b7e8e081-2
0.393
BEN-DND-6de5dfa0-16
0.393
TRY-UNI-714a760b-10
0.393
ALE-HEI-f28a35b5-6
0.393
EDG-MED-0da5ad92-4
0.393
SAM-UNK-2684b532-8
0.389
MAT-POS-590ac91e-10
0.388
BEN-DND-09b88bf4-3
0.386
NAU-LAT-3f5f3993-5
0.386
BEN-DND-6de5dfa0-3
0.386
BEN-DND-6de5dfa0-5
0.386
MAT-POS-590ac91e-6
0.386
BEN-DND-09b88bf4-8
0.385
ALE-HEI-f28a35b5-12
0.383
NIR-THE-b7e8e081-1
0.382
BEN-DND-22e6b372-1
0.380
ASH-SAT-43770c7d-9
0.380
BEN-DND-09b88bf4-6
0.378
BEN-DND-6de5dfa0-7
0.378
MAT-POS-590ac91e-23
0.376
MAK-UNK-372b0df5-3
0.375
BEN-DND-6de5dfa0-9
0.372
MAT-POS-590ac91e-24
0.372
EDG-MED-0da5ad92-9
0.371
BEN-DND-6de5dfa0-6
0.370
PET-SGC-6e7c5dc0-1
0.369
BEN-DND-09b88bf4-1
0.368
BEN-DND-6de5dfa0-2
0.368
GAB-REV-70cc3ca5-19
0.368
PET-SGC-d5b502b1-1
0.368
WIL-WAB-6ef46ddb-1
0.368
MAT-POS-590ac91e-25
0.367
DAR-DIA-0cde14eb-61
0.366
MAT-POS-590ac91e-5
0.365
MAT-POS-590ac91e-9
0.365
NAU-LAT-3f5f3993-1
0.365
MAK-UNK-7264f48c-5
0.365
ALP-POS-95b75b4d-2
0.364
NAU-LAT-3f5f3993-2
0.364
ANU-UNK-2781581f-1
0.361
MAK-UNK-f203cb68-3
0.361
RED-SAT-26a928c9-1
0.361
GAB-REV-70cc3ca5-21
0.360
ALE-HEI-f28a35b5-3
0.360
BEN-DND-6de5dfa0-13
0.357
BEN-DND-93268d01-12
0.357
SCO-VAN-260d9628-1
0.357
JAN-GHE-83b26c96-11
0.357
TRY-UNI-714a760b-5
0.357
ALE-HEI-f28a35b5-17
0.357
GAB-REV-70cc3ca5-1
0.356
ALE-HEI-f28a35b5-10
0.356
WIL-MOD-03b86a88-3
0.354
MAK-UNK-902cc841-15
0.354
MAK-UNK-7264f48c-4
0.354
SEB-EST-28768d06-1
0.353
TRY-UNI-714a760b-16
0.352
MAT-POS-590ac91e-15
0.352
JOH-UNI-abfda500-6
0.352
BEN-DND-6de5dfa0-10
0.352
ANN-UNI-98d2bf15-1
0.352
AAR-POS-d2a4d1df-3
0.351
MAK-UNK-6435e6c2-8
0.351
ALP-POS-95b75b4d-4
0.351
DAR-DIA-0cde14eb-64
0.351
MAK-UNK-902cc841-18
0.351
SIM-DEM-4fb93ec7-1
0.351