Molecular Properties | |
SMILES: | Cc1ccncc1NC(C)C(CNS(C)(O)O)c1ccccc1 |
MW: | 335.17 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 77.41 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-S bonds
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-1
0.456
PED-UNI-8d53fd73-1
0.456
PED-UNI-5b7f1100-1
0.456
DRE-WAB-eb790b7a-1
0.456
AHN-SAT-202241f6-1
0.405
TRY-UNI-714a760b-17
0.405
WIL-WAB-6ef46ddb-1
0.405
PET-SGC-d5b502b1-1
0.405
BEN-DND-93268d01-3
0.395
BEN-DND-93268d01-2
0.392
BEN-DND-93268d01-14
0.385
ABI-SAT-4d06482b-1
0.382
DAN-RED-da448e80-17
0.349
DAN-RED-da448e80-5
0.345
SAM-UNK-2684b532-1
0.345
DAN-RED-da448e80-9
0.345
TRY-UNI-714a760b-5
0.342
DAN-RED-da448e80-13
0.337
EDG-MED-0da5ad92-5
0.333
BEN-DND-93268d01-13
0.333
TRY-UNI-714a760b-4
0.329
ALE-HEI-f28a35b5-1
0.329
IND-SYN-2c708b29-2
0.328
ALP-POS-90c18d1d-1
0.326
SAM-UNK-2684b532-10
0.326
JAN-GHE-83b26c96-4
0.321
JAN-GHE-83b26c96-5
0.321
TRY-UNI-2eddb1ff-5
0.321
TRY-UNI-714a760b-18
0.321
TRY-UNI-2eddb1ff-4
0.321
MAT-POS-590ac91e-6
0.321
CHR-SOS-e960e883-4
0.320
MAK-UNK-f203cb68-3
0.319
ASH-UNK-40b46b30-11
0.318
AND-WAB-bfd3647f-1
0.318
JAN-GHE-83b26c96-9
0.318
ALP-POS-95b75b4d-2
0.317
BEN-DND-93268d01-15
0.316
MAT-POS-590ac91e-5
0.316
MAT-POS-590ac91e-11
0.316
JAN-GHE-83b26c96-8
0.315
AAR-POS-d2a4d1df-3
0.313
MAK-UNK-6435e6c2-8
0.313
WAR-XCH-e55cba98-11
0.311
MAT-POS-590ac91e-1
0.311
ERI-UCB-5b47150d-1
0.311
MAT-POS-590ac91e-2
0.311
ASH-SAT-43770c7d-9
0.311
ALP-POS-95b75b4d-15
0.307
SIM-DEM-f31d0e65-1
0.307
MAK-UNK-6ca90168-26
0.306
CHR-SOS-e960e883-6
0.305
JOH-UNI-abfda500-6
0.305
ANN-UNI-98d2bf15-1
0.305
TRY-UNI-714a760b-16
0.305
SAM-UNK-2684b532-2
0.303
PET-SGC-d0156db4-1
0.302
BEN-DND-362d364a-12
0.302
PET-SGC-b0f8bd49-1
0.302
DRE-WAB-ae4a693c-1
0.302
EDJ-MED-e58735b6-2
0.301
TRY-UNI-714a760b-6
0.301
CHR-SOS-1f323c23-1
0.300
MAK-UNK-f203cb68-1
0.299
CHR-SOS-e960e883-5
0.299
MAT-POS-590ac91e-13
0.299
MAK-UNK-372b0df5-3
0.298
ADA-UCB-6c2cb422-9
0.297
BEN-DND-09b88bf4-1
0.297
BEN-DND-6de5dfa0-2
0.297
MAK-UNK-f203cb68-4
0.296
DAR-DIA-0cde14eb-79
0.295
CHR-SOS-1f323c23-7
0.295
JAN-GHE-83b26c96-10
0.295
MAT-POS-590ac91e-16
0.295
MAT-POS-5d20d11c-1
0.295
EDG-MED-0da5ad92-20
0.295
MIH-UNI-3396182e-2
0.294
JAN-GHE-83b26c96-17
0.294
JAN-GHE-83b26c96-21
0.293
ALE-HEI-f28a35b5-10
0.293
TRY-UNI-714a760b-22
0.292
BAR-COM-0f94fc3d-38
0.292
MAT-POS-1e5f28a7-1
0.292
CHR-SOS-1f323c23-4
0.292
MAK-UNK-129dcd6f-15
0.292
MAK-UNK-6ca90168-27
0.292
EDJ-MED-e58735b6-1
0.291
BEN-DND-6de5dfa0-10
0.289
MAT-POS-590ac91e-15
0.289
PET-SGC-6e7c5dc0-1
0.287
ANN-UNI-98d2bf15-2
0.287
JAN-GHE-83b26c96-14
0.287
DAR-DIA-0cde14eb-76
0.287
ALP-POS-95b75b4d-3
0.287
CHR-SOS-1f323c23-10
0.287
MAK-UNK-372b0df5-2
0.286
CHA-KIN-f512e507-2
0.286
ERI-UCB-5b47150d-4
0.286
MAK-UNK-6ca90168-24
0.286