Molecular Properties | |
SMILES: | CCC(=O)NCC[C@@H]1CCc2ccccc21 |
MW: | 217.312 |
Fraction sp3: | 0.5 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 29.1 |
cLogP: | 2.6327 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2282823915 |
Long aliphatic chain
AAR-POS-d2a4d1df-2
ANT-OPE-997bdc93-2
0.438
JOH-MSK-ec639444-2
0.421
AAR-UNI-c25c2f1e-4
0.314
AAR-UNI-c25c2f1e-1
0.311
ANT-OPE-997bdc93-1
0.295
MAR-TRE-04c86cea-77
0.284
ANT-OPE-6a16a9ad-1
0.282
AAR-POS-0daf6b7e-14
0.269
ANT-OPE-6a16a9ad-2
0.263
JUA-UNI-b93289a4-1
0.258
ANT-OPE-7b52af4b-1
0.256
REN-UFA-aaaed2d6-5
0.256
WJF-WAB-5e8b96ca-1
0.255
JUA-UNI-b93289a4-2
0.253
DAV-IMP-59dd6621-15
0.253
RUB-POS-1325a9ea-7
0.253
COM-UCB-1ef4e90e-8
0.253
JOH-MSK-ec639444-4
0.250
MAR-TRE-fffca54f-67
0.250
JUA-UNI-b93289a4-5
0.247
PET-UNK-f92d7c0c-8
0.247
RUB-POS-1325a9ea-20
0.247
PET-UNK-f92d7c0c-2
0.247
MIH-UNI-e573136b-11
0.247
JUA-UNI-b93289a4-3
0.247
JUA-UNI-b93289a4-4
0.244
MAR-TRE-92684b97-37
0.244
REN-UFA-aaaed2d6-3
0.244
REN-UFA-aaaed2d6-6
0.242
RUB-POS-1325a9ea-6
0.241
LON-WEI-5e7d1b3e-42
0.240
LON-WEI-4d77710c-42
0.240
REN-UFA-aaaed2d6-2
0.239
MAT-POS-162a9720-6
0.237
REN-UFA-aaaed2d6-1
0.236
LON-WEI-5e7d1b3e-7
0.235
MAT-POS-b5746674-98
0.235
LON-WEI-4d77710c-7
0.235
JAR-IMP-ed466bb3-5
0.234
ALE-UNK-fca05062-8
0.233
NIR-THE-c331be7a-6
0.233
JAR-IMP-ed466bb3-8
0.233
MAR-TRE-92684b97-76
0.232
JOH-MEM-5e386bbd-1
0.232
SAD-SAT-1f400d17-9
0.231
JAR-IMP-ed466bb3-2
0.231
RED-RED-10c9212c-45
0.228
DAV-CRI-3fe943ba-1
0.227
NIR-THE-99f25457-3
0.226
AAR-UNI-c25c2f1e-45
0.226
ALP-POS-e980f4ea-23
0.226
MAR-TRE-92684b97-43
0.225
JAR-IMP-ed466bb3-13
0.225
RUB-POS-1325a9ea-21
0.225
DAV-CRI-3fe943ba-2
0.224
MAR-TRE-67513f76-91
0.224
MIH-UNI-e573136b-13
0.222
TAM-UNI-d1c3dd9f-8
0.222
DAR-DIA-caba39e3-2
0.222
MAR-TRE-3159af1a-98
0.222
JAR-IMP-ed466bb3-9
0.221
RUB-POS-1325a9ea-24
0.221
MAR-TRE-74c6519b-54
0.221
BRU-THA-92256091-45
0.220
RAI-NOV-a7d52b4a-2
0.220
ALE-UNK-fca05062-6
0.219
COM-UCB-8c7d23dc-4
0.219
JAR-IMP-ed466bb3-12
0.219
REN-UFA-aaaed2d6-4
0.219
MIH-UNI-6b9ca91a-3
0.219
JON-UIO-066ce08b-15
0.219
NIR-THE-c331be7a-1
0.218
NIR-THE-c331be7a-4
0.218
MIH-UNI-e573136b-9
0.218
DAR-DIA-caba39e3-1
0.218
MAR-TRE-6a44bbf2-91
0.218
JAR-IMP-ed466bb3-7
0.217
ALP-POS-ced8ea4d-23
0.217
MAT-POS-2492181e-2
0.216
MAR-TRE-92684b97-28
0.216
JUA-UNI-b93289a4-6
0.215
RAF-POL-653f0897-1
0.215
IND-SYN-6c8299e8-10
0.215
MAR-TRE-9d18ae8c-72
0.215
JAR-IMP-ed466bb3-3
0.215
JAR-IMP-ed466bb3-14
0.215
MAR-TRE-8190bb11-16
0.215
DAR-DIA-caba39e3-5
0.215
DAV-CRI-1c77f7a9-5
0.214
JAR-IMP-ed466bb3-17
0.214
COM-UCB-1ef4e90e-15
0.214
EDJ-MED-54fbebd8-2
0.214
NIR-THE-c331be7a-2
0.213
MAT-POS-7174c657-3
0.213
IND-SYN-6c8299e8-3
0.213
JAV-UNI-4503e1e6-1
0.213
SCO-VAN-260d9628-2
0.212
ARI-TAT-5792557e-24
0.212
TAM-UNI-d1c3dd9f-10
0.212
MAK-UNK-3f402c2b-23
0.212