Molecular Properties | |
SMILES: | C=CCN[C@H]1C[C@@H]1NC(=O)N(CNC(=O)C1CCCCC1)Cc1cc(C)on1 |
MW: | 389.5 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 99.5 |
cLogP: | 2.06512 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
het-C-het not in ring
isolated alkene
acyclic N-C-N
Long aliphatic chain
AAR-POS-d2a4d1df-9
ALI-DIA-59c2fdb0-4
0.678
ALI-DIA-59c2fdb0-8
0.582
ALI-DIA-59c2fdb0-7
0.565
ALI-DIA-59c2fdb0-6
0.559
ALI-DIA-59c2fdb0-9
0.547
ALI-DIA-59c2fdb0-1
0.394
RAF-SAT-b3ff87a1-1
0.337
ALI-DIA-59c2fdb0-2
0.325
AAR-POS-d2a4d1df-9
0.319
IFT-SAT-023cfffe-2
0.299
ALI-DIA-59c2fdb0-3
0.298
FRA-DIA-3f9ae552-3
0.293
FRA-DIA-3f9ae552-2
0.289
PET-SGC-210d4c30-1
0.286
TRY-UNI-9f475305-8
0.279
FRA-DIA-3f9ae552-1
0.276
DAR-DIA-37454fd7-1
0.276
SIM-SYN-3099a863-1
0.275
MAK-UNK-987948f6-1
0.274
DAR-DIA-37454fd7-3
0.271
TRY-UNI-9f475305-7
0.270
MAK-UNK-f2409524-9
0.268
TRY-UNI-9f475305-6
0.261
SIM-SYN-7db9eb24-2
0.259
FRA-DIA-8640f307-1
0.255
IFT-SAT-023cfffe-5
0.254
FRA-DIA-8640f307-3
0.252
FRA-DIA-8640f307-2
0.250
SID-ELM-2583a2cd-15
0.245
AAR-UNI-c25c2f1e-88
0.238
SIM-SYN-3099a863-2
0.236
NIM-NMI-8bb27a2b-1
0.236
ERI-UCB-fbdd3ea1-5
0.236
DAR-DIA-37454fd7-2
0.231
MIN-UNA-49990483-1
0.229
DAR-DIA-6a508060-14
0.228
SAD-SAT-cefd50cc-2
0.228
GIA-UNK-d2defdc3-1
0.223
ERI-UCB-fbdd3ea1-6
0.220
ROD-LAS-d5538ff9-3
0.218
PET-SGC-2aaf6909-1
0.218
AAR-UNI-c25c2f1e-4
0.217
AAR-UNI-c25c2f1e-3
0.216
MAR-TRE-c8530538-59
0.216
MAR-TRE-9d18ae8c-16
0.216
JAN-GHE-d851b096-7
0.214
AAR-UNI-c25c2f1e-95
0.214
TRY-UNI-714a760b-7
0.214
ERI-UCB-fbdd3ea1-7
0.213
SID-ELM-8b394441-18
0.213
TRY-UNI-714a760b-1
0.212
DAR-DIA-6a508060-16
0.211
AGN-NEW-95323f67-5
0.207
AGN-NEW-9315dc74-4
0.207
MAK-UNK-f2409524-3
0.207
GIA-UNK-d2defdc3-3
0.206
DAV-IMP-59dd6621-13
0.206
NIM-UNI-bb9030bf-10
0.204
AAR-UNI-c25c2f1e-96
0.204
MAK-UNK-f2409524-14
0.203
WAR-XCH-bdd24732-42
0.203
KUS-THE-322b9b63-19
0.203
MAR-TRE-f6f5f473-77
0.202
ERI-UCB-fbdd3ea1-31
0.200
JAC-SHE-cfe9e938-1
0.200
SID-ELM-2583a2cd-12
0.200
CLI-TLC-0b41e95c-1
0.200
DAR-DIA-03336633-14
0.200
MAK-UNK-f2409524-10
0.200
MAK-UNK-f2409524-17
0.200
MAT-POS-136e7878-2
0.198
BEN-VAN-d2b455e2-19
0.198
NIM-NMI-8bb27a2b-3
0.198
RED-RED-10c9212c-55
0.198
LON-WEI-af038623-1
0.198
CHA-KIN-cd2ef30b-1
0.197
MAT-POS-136e7878-1
0.197
WIL-UNI-5578df48-17
0.196
NIM-UNI-bb9030bf-11
0.196
IFT-SAT-023cfffe-4
0.195
CHA-KIN-f512e507-3
0.195
MAK-UNK-f2409524-15
0.195
ERI-UCB-fbdd3ea1-25
0.195
MAR-TRE-b77b7921-97
0.195
MAR-TRE-04c86cea-82
0.195
ALE-HEI-f28a35b5-7
0.194
TRY-UNI-714a760b-11
0.194
MAK-UNK-f2409524-30
0.194
MIC-UNK-ea979c74-4
0.193
SID-ELM-8b394441-17
0.193
ERI-UCB-fbdd3ea1-8
0.192
MAK-UNK-f2409524-37
0.192
CHA-KIN-f512e507-1
0.192
WIL-UNI-1faa9b10-41
0.192
SID-ELM-2583a2cd-19
0.190
WAR-XCH-bdd24732-13
0.190
DRA-CSI-7ec17797-17
0.190
SID-ELM-2583a2cd-2
0.189
NIM-NMI-8bb27a2b-5
0.189
CHA-KIN-f512e507-2
0.189