Molecular Properties | |
SMILES: | O=C(CSc1ccccc1)NCCCNC(=O)[C@@H]1CCCc2ccccc21 |
MW: | 382.17 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 58.2 |
cLogP: | 3.52 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
ANT-OPE-7b52af4b-1
0.407
ANT-OPE-7c194559-1
0.311
AAR-UNI-c25c2f1e-85
0.280
AAR-UNI-c25c2f1e-4
0.279
MAR-TRE-04c86cea-77
0.257
MAR-TRE-14ce9fd6-17
0.256
MIC-UNK-91acba05-4
0.252
ALP-POS-477dc5b7-1
0.252
LON-WEI-5e7d1b3e-42
0.252
LON-WEI-4d77710c-42
0.252
PET-UNK-158bee2a-8
0.245
RAL-THA-5ed3c24e-1
0.243
BAR-COM-0f94fc3d-50
0.243
AAR-UNI-c25c2f1e-95
0.240
RUB-POS-1325a9ea-21
0.240
AAR-POS-0daf6b7e-14
0.240
EDJ-MED-54fbebd8-2
0.239
EDJ-MED-54fbebd8-3
0.235
BEN-DND-fa51d92c-12
0.234
DAV-CRI-1c77f7a9-1
0.234
IND-SYN-6c8299e8-10
0.234
EDJ-MED-54fbebd8-4
0.233
PET-UNK-158bee2a-6
0.233
AAR-UNI-c25c2f1e-75
0.233
BAR-COM-0f94fc3d-43
0.231
JAR-IMP-ed466bb3-17
0.230
MAK-UNK-3f402c2b-23
0.230
JAV-UNI-4503e1e6-1
0.229
SAD-SAT-29425be4-3
0.229
EDJ-MED-28cccd0c-2
0.228
EDJ-MED-54fbebd8-5
0.228
EDJ-MED-54fbebd8-1
0.227
BEN-DND-fa51d92c-9
0.227
ARI-TAT-5792557e-16
0.227
BEN-DND-fa51d92c-11
0.227
AAR-UNI-c25c2f1e-94
0.226
LON-WEI-b2874fec-20
0.226
EDJ-MED-28cccd0c-4
0.226
JAR-IMP-ed466bb3-5
0.226
KEI-TRE-fa9ada3e-10
0.226
BEN-DND-fa51d92c-3
0.226
MAR-TRE-fd17a9b8-40
0.225
MAR-TRE-0fda4e82-24
0.225
AAR-UNI-c25c2f1e-92
0.224
TAT-ENA-80bfd3e5-3
0.224
MAR-TRE-6a44bbf2-86
0.223
LON-WEI-120e5cf5-15
0.223
NIR-THE-c331be7a-6
0.223
MIH-UNI-e573136b-11
0.223
KUS-THE-322b9b63-23
0.223
BEN-DND-fa51d92c-15
0.222
DAV-CRI-f4772df7-1
0.222
JAR-IMP-ed466bb3-2
0.222
BEN-DND-fa51d92c-23
0.221
DAV-CRI-1c77f7a9-7
0.221
REN-UFA-aaaed2d6-3
0.221
AAR-UNI-c25c2f1e-54
0.221
EDJ-MED-28cccd0c-3
0.220
RED-RED-10c9212c-45
0.220
BAR-COM-0f94fc3d-17
0.220
EDJ-MED-28cccd0c-1
0.219
MIC-FED-19b1f86d-4
0.219
BEN-DND-fa51d92c-10
0.219
BEN-DND-fa51d92c-14
0.219
BEN-DND-fa51d92c-18
0.219
DAV-CRI-b7083e67-1
0.218
EDJ-MED-139368ae-2
0.218
BEN-DND-fa51d92c-1
0.218
NIR-THE-99f25457-3
0.218
GIA-UNK-20b63697-3
0.218
GIA-UNK-20b63697-5
0.218
DAV-CRI-3fe943ba-2
0.217
MAK-UNK-6ca90168-11
0.217
LON-WEI-b2874fec-26
0.217
MAT-POS-ea426761-4
0.216
NAU-LAT-8502cac5-9
0.216
LON-WEI-f8a636e2-1
0.216
GIA-UNK-20b63697-8
0.216
DAV-CRI-1c77f7a9-6
0.216
MIH-UNI-e573136b-13
0.216
SAD-SAT-29425be4-23
0.215
LON-WEI-120e5cf5-14
0.215
MAR-TRE-0fda4e82-1
0.215
BEN-DND-fa51d92c-24
0.215
MIH-UNI-e573136b-14
0.215
LON-WEI-b2874fec-21
0.214
BEN-DND-fa51d92c-2
0.214
MAK-UNK-3d7e3904-2
0.214
MAK-UNK-3d7e3904-3
0.214
LON-WEI-b2874fec-15
0.214
JAR-IMP-ed466bb3-12
0.213
LON-WEI-b2874fec-18
0.213
MAT-POS-162a9720-6
0.213
BEN-DND-fa51d92c-8
0.213
MAK-UNK-69bf97dd-6
0.212
GIA-UNK-20b63697-6
0.212
DAR-DIA-caba39e3-1
0.212
RUB-POS-1325a9ea-20
0.212
PET-UNK-f92d7c0c-2
0.212
NIR-THE-c331be7a-1
0.212