Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cc1 |
MW: | 349.368 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 128.45 |
cLogP: | 0.83292 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
GAB-REV-70cc3ca5-20
0.603
GAB-REV-70cc3ca5-3
0.533
EDJ-MED-e58735b6-3
0.494
ASH-SAT-43770c7d-9
0.485
RAL-THA-6b94ceba-13
0.481
PET-SGC-d0fd10df-1
0.471
PET-SGC-83d43576-1
0.463
CHR-SOS-1f323c23-12
0.463
MAK-UNK-6ca90168-26
0.462
CHR-SOS-1f323c23-9
0.452
TRY-UNI-714a760b-5
0.451
PET-SGC-6e7c5dc0-1
0.444
CHR-SOS-363cfb78-8
0.443
MAT-POS-590ac91e-9
0.438
CHR-SOS-1f323c23-3
0.437
MIH-UNI-6b9ca91a-1
0.432
MIH-UNI-6b9ca91a-3
0.432
JAN-GHE-83b26c96-11
0.431
NAU-LAT-0543f7f2-5
0.425
MAT-POS-590ac91e-11
0.423
ALE-HEI-f28a35b5-12
0.423
RAL-THA-6b94ceba-15
0.422
CHR-SOS-e960e883-6
0.420
MAT-POS-590ac91e-7
0.419
ALP-POS-95b75b4d-2
0.416
ANN-UNI-98d2bf15-5
0.415
MAT-POS-590ac91e-23
0.413
BEN-DND-93268d01-11
0.413
GAB-REV-70cc3ca5-21
0.413
MAK-UNK-6435e6c2-8
0.413
AAR-POS-d2a4d1df-3
0.413
ANN-UNI-98d2bf15-2
0.412
NAU-LAT-0543f7f2-7
0.412
WIL-MOD-03b86a88-6
0.412
CHR-SOS-e960e883-5
0.411
MAK-UNK-372b0df5-3
0.410
BEN-DND-93268d01-4
0.410
ALE-HEI-f28a35b5-10
0.408
MAT-POS-590ac91e-10
0.408
EDJ-MED-c9f55a56-1
0.408
NAU-LAT-0543f7f2-6
0.407
MAT-POS-590ac91e-6
0.405
BEN-DND-09b88bf4-3
0.405
NAU-LAT-3f5f3993-5
0.405
BEN-DND-6de5dfa0-3
0.405
JOH-UNI-abfda500-6
0.403
TRY-UNI-2eddb1ff-2
0.403
ANN-UNI-98d2bf15-1
0.403
EDG-MED-0da5ad92-8
0.403
RAL-THA-6b94ceba-6
0.402
MAT-POS-c9973a83-1
0.402
CHR-SOS-e960e883-4
0.402
PET-SGC-05cff2e1-1
0.400
NAU-LAT-0543f7f2-8
0.400
EDJ-MED-e58735b6-1
0.400
RAL-THA-6b94ceba-14
0.400
TRY-UNI-714a760b-6
0.397
EDJ-MED-e58735b6-2
0.397
JAN-GHE-83b26c96-13
0.397
EDJ-MED-3c65e9ce-4
0.397
MAT-POS-7dfc56d9-1
0.397
BEN-DND-09b88bf4-6
0.395
BEN-DND-6de5dfa0-7
0.395
ALE-HEI-f28a35b5-6
0.395
EDG-MED-0da5ad92-4
0.395
TRY-UNI-714a760b-10
0.395
BEN-DND-09b88bf4-5
0.395
BEN-DND-93268d01-9
0.395
ALE-HEI-f28a35b5-3
0.395
ALP-POS-95b75b4d-1
0.392
JAN-GHE-83b26c96-12
0.392
BEN-DND-93268d01-10
0.390
MAT-POS-590ac91e-24
0.390
CHR-SOS-1f323c23-11
0.389
MAK-UNK-7264f48c-3
0.389
ASH-UNK-40b46b30-10
0.389
GAB-REV-70cc3ca5-13
0.388
BEN-DND-6de5dfa0-5
0.388
WIL-UNI-1faa9b10-16
0.386
DAR-DIA-0cde14eb-78
0.386
EDJ-MED-3c65e9ce-1
0.385
MAT-POS-590ac91e-15
0.385
MAT-POS-590ac91e-17
0.385
BEN-DND-93268d01-8
0.385
WIL-WAB-6ef46ddb-1
0.384
RAL-THA-6b94ceba-12
0.384
RAL-THA-6b94ceba-16
0.384
WIL-MOD-03b86a88-5
0.384
PET-SGC-d5b502b1-1
0.384
MAT-POS-f42f3716-2
0.383
BEN-DND-22e6b372-3
0.383
MAK-UNK-6ca90168-27
0.382
ALP-POS-95b75b4d-4
0.381
DAR-DIA-0cde14eb-64
0.381
CHR-SOS-1f323c23-8
0.380
ERI-UCB-5b47150d-1
0.380
MAT-POS-590ac91e-1
0.380
MAT-POS-590ac91e-2
0.380
BEN-DND-93268d01-5
0.380
BEN-DND-93268d01-13
0.380