Molecular Properties | |
SMILES: | CC(=O)N1C(CNS(=O)(=O)c2ccc(C)cc2)CN(C(O)c2cccs2)C2CC(=O)N(c3cnccc3C)C21 |
MW: | 569.709 |
Fraction sp3: | 0.37 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 123.15 |
cLogP: | 2.39364 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_acetal
Hetero_hetero
DOU-UNK-b5326f8f-4
0.536
DOU-UNK-b5326f8f-7
0.515
DOU-UNK-b5326f8f-6
0.435
DOU-UNK-b5326f8f-8
0.382
SEL-UNI-cd366922-4
0.278
DAN-RED-da448e80-18
0.276
DAN-RED-da448e80-17
0.270
DAN-RED-da448e80-19
0.269
MAK-UNK-902cc841-15
0.266
DAN-RED-da448e80-20
0.260
BRU-UNI-248b30bc-5
0.253
JAR-KUA-41bd5a3d-9
0.248
MAK-UNK-7264f48c-6
0.246
KIM-UNI-60f168f5-4
0.246
SIM-SYN-3099a863-3
0.240
MAK-UNK-902cc841-16
0.240
VLA-UCB-00f2c2b3-6
0.239
NAU-LAT-3f5f3993-10
0.238
HAR-NEW-e34cb1ae-4
0.238
HEI-REL-0c990a45-6
0.235
JAN-GHE-4287bd1a-2
0.235
MAK-UNK-7264f48c-3
0.235
MAK-UNK-7264f48c-5
0.234
KIM-UNI-60f168f5-6
0.233
VLA-UCB-1dbca3b4-4
0.232
AGN-NEW-63f62ae9-1
0.230
AGN-NEW-63f62ae9-2
0.230
PET-UNK-7a31b064-4
0.227
JAR-KUA-41bd5a3d-11
0.227
KIM-UNI-60f168f5-2
0.225
KIM-UNI-60f168f5-3
0.225
MAK-UNK-902cc841-17
0.225
EDJ-MED-e58735b6-3
0.224
KIM-UNI-60f168f5-5
0.223
KIM-UNI-60f168f5-8
0.223
DOU-UNK-b5326f8f-9
0.223
MIC-UNK-e8a42ca9-1
0.221
BEN-DND-6de5dfa0-5
0.221
MAR-TRE-f6f5f473-92
0.221
AGN-NEW-9315dc74-5
0.220
AGN-NEW-95323f67-1
0.220
MAK-UNK-7264f48c-4
0.220
MAR-TRE-2fd8122f-6
0.220
WAR-XCH-79d12f6e-4
0.218
MAT-POS-590ac91e-26
0.218
MIC-UNK-e8a42ca9-2
0.217
EDJ-MED-3c65e9ce-1
0.217
BEN-DND-93268d01-8
0.217
MIH-UNI-3396182e-11
0.216
JAN-GHE-83b26c96-11
0.216
GAB-REV-70cc3ca5-20
0.215
RAL-THA-901e9a10-6
0.215
MAR-TRE-b77b7921-83
0.214
PET-UNK-7a31b064-3
0.214
MAK-UNK-009ebe36-3
0.214
BEN-DND-6de5dfa0-27
0.213
MIH-UNI-6b9ca91a-2
0.212
MAR-TRE-f6f5f473-23
0.212
VLA-UCB-00f2c2b3-4
0.212
PET-UNK-df7eb4e6-3
0.212
PET-UNK-df7eb4e6-7
0.212
BRU-LEF-c49414a7-1
0.211
SAM-UNK-2684b532-10
0.211
PET-UNK-df7eb4e6-1
0.211
KIM-UNI-60f168f5-10
0.211
RAL-THA-901e9a10-7
0.211
PET-UNK-df7eb4e6-5
0.211
STE-UNK-4e3fa4d2-1
0.211
TRY-UNI-714a760b-10
0.210
MAT-POS-590ac91e-23
0.210
EDG-MED-0da5ad92-4
0.210
ALE-HEI-f28a35b5-6
0.210
BEN-DND-03406596-7
0.210
BEN-DND-6de5dfa0-1
0.210
BEN-DND-09b88bf4-2
0.210
BEN-DND-22e6b372-3
0.210
PET-UNK-eda34f30-1
0.209
SIM-SYN-3099a863-2
0.209
MAK-UNK-7264f48c-1
0.209
VLA-UCB-00f2c2b3-3
0.209
RAL-THA-901e9a10-3
0.209
TRY-UNI-2eddb1ff-6
0.209
MAK-UNK-df1a028e-5
0.208
PET-UNK-5eca9d1d-1
0.208
MAK-UNK-372b0df5-1
0.208
BEN-DND-6de5dfa0-8
0.208
RAL-THA-901e9a10-1
0.207
SIM-DEM-163f01e0-1
0.207
MIC-UNK-2744a8e2-5
0.207
BEN-DND-6de5dfa0-10
0.207
MIC-UNK-2744a8e2-4
0.206
MIH-UNI-6b9ca91a-3
0.206
MAR-TRE-14ce9fd6-26
0.205
ALP-POS-3fc1724e-5
0.205
EDJ-MED-3c65e9ce-4
0.205
PET-UNK-5eca9d1d-3
0.205
BEN-DND-6de5dfa0-6
0.205
GAB-REV-70cc3ca5-3
0.205
VLA-UCB-00f2c2b3-5
0.205
KIM-UNI-60f168f5-7
0.205