Molecular Properties | |
SMILES: | CCCN/C=C/NC(=O)N(CNC(=O)C1CCCCC1)Cc1cc(C)on1 |
MW: | 377.489 |
Fraction sp3: | 0.63 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 99.5 |
cLogP: | 2.61942 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Aliphatic long chain
het-C-het not in ring
acyclic N-C-N
Long aliphatic chain
Unbranched chain
AAR-POS-d2a4d1df-9
ALI-DIA-59c2fdb0-8
0.738
ALI-DIA-59c2fdb0-6
0.707
ALI-DIA-59c2fdb0-7
0.695
ALI-DIA-59c2fdb0-5
0.547
ALI-DIA-59c2fdb0-4
0.352
AAR-POS-d2a4d1df-9
0.337
ALI-DIA-59c2fdb0-3
0.336
ALI-DIA-59c2fdb0-1
0.336
ALI-DIA-59c2fdb0-2
0.315
RAF-SAT-b3ff87a1-1
0.311
MAK-UNK-987948f6-1
0.297
IFT-SAT-023cfffe-2
0.289
TRY-UNI-9f475305-7
0.283
MAK-UNK-f2409524-9
0.283
TRY-UNI-9f475305-8
0.280
SIM-SYN-3099a863-1
0.276
FRA-DIA-8640f307-1
0.275
SIM-SYN-7db9eb24-2
0.271
FRA-DIA-3f9ae552-2
0.269
FRA-DIA-3f9ae552-1
0.267
FRA-DIA-3f9ae552-3
0.262
DAR-DIA-37454fd7-3
0.262
TRY-UNI-9f475305-6
0.261
FRA-DIA-8640f307-3
0.261
AAR-UNI-c25c2f1e-95
0.260
FRA-DIA-8640f307-2
0.259
DAR-DIA-37454fd7-1
0.256
PET-SGC-210d4c30-1
0.256
IFT-SAT-023cfffe-5
0.254
AGN-NEW-95323f67-5
0.252
AGN-NEW-9315dc74-4
0.252
DAR-DIA-6a508060-14
0.250
AAR-UNI-c25c2f1e-88
0.238
SIM-SYN-3099a863-2
0.236
DAR-DIA-37454fd7-2
0.231
MAR-TRE-fd17a9b8-96
0.229
ROD-LAS-d5538ff9-3
0.229
PET-SGC-2aaf6909-1
0.227
JAC-SHE-cfe9e938-1
0.227
MAR-TRE-c8530538-59
0.225
DAR-DIA-6a508060-16
0.220
GIA-UNK-d2defdc3-3
0.217
AAR-UNI-c25c2f1e-4
0.216
AAR-UNI-c25c2f1e-3
0.215
SAD-SAT-cefd50cc-2
0.214
SID-ELM-8b394441-18
0.212
MAR-TRE-f6f5f473-77
0.211
GIA-UNK-d2defdc3-1
0.210
MAK-UNK-f2409524-10
0.210
DAR-DIA-03336633-14
0.209
SID-ELM-2583a2cd-15
0.208
RED-RED-10c9212c-55
0.207
ALP-POS-b0bc6a46-14
0.205
ALP-POS-02c6a514-23
0.205
ALE-UNK-fca05062-9
0.204
MAR-TRE-04c86cea-82
0.204
MAR-TRE-9d18ae8c-16
0.204
IFT-SAT-023cfffe-4
0.203
AAR-UNI-c25c2f1e-96
0.202
WAR-XCH-bdd24732-42
0.202
MAK-UNK-f2409524-30
0.202
MAT-POS-ea426761-35
0.200
MAT-POS-ea426761-48
0.200
MAK-UNK-f2409524-17
0.198
SAD-SAT-29425be4-30
0.198
CLI-TLC-0b41e95c-1
0.198
PHI-UNK-c3ab17cb-1
0.198
MIN-UNA-49990483-1
0.197
ERI-UCB-fbdd3ea1-5
0.195
NIM-NMI-8bb27a2b-1
0.195
NIM-UNI-310206f0-51
0.195
WIL-UNI-1faa9b10-54
0.194
MAK-UNK-f2409524-3
0.194
SID-ELM-8b394441-25
0.194
WIL-UNI-5578df48-17
0.194
WAR-XCH-bdd24732-43
0.193
MAR-TRE-fd17a9b8-36
0.193
MAR-TRE-d0525fbf-87
0.193
MAK-UNK-f2409524-15
0.193
JUL-TUD-06b2044f-114
0.193
WAR-XCH-bdd24732-36
0.193
MAK-UNK-5d2caa6f-23
0.192
JOR-UNI-61e7b1d5-19
0.192
IFT-SAT-023cfffe-1
0.192
KUS-THE-322b9b63-19
0.192
NIM-UNI-310206f0-41
0.192
MAK-UNK-f2409524-14
0.191
ROM-UNK-ef52a3c9-3
0.191
MAR-TRE-7f7bb9f0-51
0.191
MAR-TRE-67513f76-95
0.190
SID-ELM-8b394441-17
0.190
SID-ELM-b654bfa2-9
0.190
WIL-UNI-1faa9b10-41
0.190
CHA-KIN-f512e507-1
0.190
JIM-PRI-216d613d-1
0.189
DAR-DIA-0587064e-12
0.189
MAT-POS-5369c344-4
0.189
DAN-MCD-881986d8-1
0.188
CHO-MSK-6e55470f-2
0.188
MAK-UNK-69bf97dd-9
0.188