Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC(c1ccccc1)C(O)Nc1ccccn1 |
MW: | 335.429 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 91.32 |
cLogP: | 1.535 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Long aliphatic chain
Hetero_hetero
AND-WAB-bfd3647f-1
0.803
ADA-UNI-f8e79267-2
0.361
SRE-UNK-d6ec0668-1
0.357
SRE-UNK-f31cebfc-1
0.357
ADA-UNI-f8e79267-1
0.310
MAK-UNK-27459e11-13
0.310
MAK-UNK-27459e11-6
0.297
MAK-UNK-90d0606b-3
0.295
SEL-UNI-cd366922-2
0.289
WIL-WAB-6ef46ddb-1
0.289
PET-SGC-d5b502b1-1
0.289
PET-SGC-a9e9d4f4-1
0.284
DRE-WAB-eb790b7a-1
0.284
TAM-UNI-c140e31a-10
0.284
DAN-RED-da448e80-1
0.284
PED-UNI-8d53fd73-1
0.284
PED-UNI-5b7f1100-1
0.284
AAR-POS-d2a4d1df-1
0.284
DRE-WAB-ae4a693c-1
0.279
PET-SGC-b0f8bd49-1
0.279
PET-SGC-d0156db4-1
0.279
BEN-DND-362d364a-12
0.279
ADA-UNI-f8e79267-8
0.277
MAR-UNA-df66f71a-1
0.273
AAR-POS-0daf6b7e-42
0.270
AUS-ARG-7cfdce8f-13
0.268
MAK-UNK-f0bfc2e0-3
0.268
ZAC-WAB-d55a3c2e-1
0.263
ZAC-WAB-2baeb60f-1
0.263
MAR-TRE-3e4e6814-1
0.261
SIM-DEM-f31d0e65-1
0.256
MAK-UNK-f0bfc2e0-2
0.253
ZAC-WAB-86e8bacf-1
0.252
MAK-UNK-f983951f-13
0.250
ANT-DIA-b7f58f21-3
0.250
DAN-MCD-0fb4364c-1
0.248
MAK-UNK-8145c7a0-9
0.248
DAN-RED-da448e80-2
0.247
ZAC-WAB-3baddbb3-1
0.245
ZAC-WAB-d55a3c2e-2
0.245
MAR-TRE-3e4e6814-3
0.245
MAR-TRE-9d18ae8c-67
0.244
ANT-DIA-b7f58f21-1
0.243
ADA-UNI-f8e79267-5
0.241
MAR-TRE-66ac689e-30
0.241
DAN-RED-da448e80-3
0.240
MAR-TRE-3e4e6814-36
0.238
DAN-RED-da448e80-4
0.238
AUS-ARG-7cfdce8f-11
0.237
NAU-LAT-3f5f3993-10
0.237
MAR-UNI-9d4da90d-1
0.237
MAK-UNK-27459e11-7
0.237
JOK-SYG-a0b0bf84-1
0.235
MAK-UNK-c44f4be0-11
0.235
ADA-UNI-f8e79267-7
0.235
DUN-NEW-f8ce3686-10
0.233
ELE-IMP-dfb36048-2
0.233
CAL-AMP-9edebd8f-1
0.233
DRE-WAB-9b73098a-1
0.232
ROB-UNI-b2e39629-9
0.232
ALE-UNK-fca05062-8
0.231
MAK-UNK-27459e11-8
0.231
MAR-TRE-f6f5f473-40
0.231
MAK-UNK-27459e11-16
0.230
ROB-UNI-b2e39629-10
0.229
BEN-DND-93268d01-1
0.228
BEN-DND-03406596-12
0.228
BEN-DND-03406596-11
0.228
BEN-DND-03406596-4
0.228
BEN-DND-93268d01-2
0.227
ABI-SAT-4d06482b-1
0.226
SCO-VAN-260d9628-2
0.226
DAN-RED-da448e80-17
0.226
TAT-ENA-80bfd3e5-40
0.226
MAK-UNK-27459e11-15
0.225
MAR-UNI-9d4da90d-2
0.225
MAK-UNK-3e0761f8-4
0.224
MAK-UNK-27459e11-12
0.224
ANT-DIA-b7f58f21-2
0.224
MAR-TRE-87acfbcc-35
0.224
BEN-DND-93268d01-3
0.224
MAR-TRE-8190bb11-93
0.223
MAR-TRE-3e4e6814-76
0.223
ASH-UNK-40b46b30-3
0.222
ADA-UNI-f8e79267-4
0.222
NJA-MAN-b8640440-39
0.221
MAR-TRE-8190bb11-11
0.221
MAR-TRE-87acfbcc-95
0.221
MAR-UNI-9d4da90d-3
0.221
MAR-TRE-87acfbcc-50
0.220
ELE-IMP-dfb36048-5
0.220
MAR-TRE-4b834d9a-87
0.219
MAR-TRE-6a44bbf2-57
0.218
MAR-TRE-8190bb11-6
0.217
ALE-UNK-fca05062-7
0.217
MAR-TRE-fd17a9b8-67
0.216
ANT-DIA-b7f58f21-5
0.216
MAR-TRE-a3327163-31
0.216
BEN-DND-93268d01-4
0.216
MAK-UNK-1bb0b7ee-3
0.216