Molecular Properties | |
SMILES: | CCO/C=C/NC(=O)N(CNC(=O)C1CCCCC1)Cc1cc(C)on1 |
MW: | 364.446 |
Fraction sp3: | 0.61 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 96.7 |
cLogP: | 2.65632 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic C=C-O
het-C-het not in ring
acyclic N-C-N
acyclic C=C-O
Long aliphatic chain
Unbranched chain
AAR-POS-d2a4d1df-9
ALI-DIA-59c2fdb0-8
0.734
ALI-DIA-59c2fdb0-7
0.713
ALI-DIA-59c2fdb0-9
0.707
ALI-DIA-59c2fdb0-5
0.559
ALI-DIA-59c2fdb0-2
0.358
ALI-DIA-59c2fdb0-4
0.358
ALI-DIA-59c2fdb0-3
0.356
ALI-DIA-59c2fdb0-1
0.355
AAR-POS-d2a4d1df-9
0.329
TRY-UNI-9f475305-8
0.311
RAF-SAT-b3ff87a1-1
0.303
MAK-UNK-987948f6-1
0.303
TRY-UNI-9f475305-6
0.302
TRY-UNI-9f475305-7
0.301
IFT-SAT-023cfffe-2
0.295
FRA-DIA-3f9ae552-3
0.288
MAK-UNK-f2409524-9
0.275
FRA-DIA-3f9ae552-2
0.274
AGN-NEW-95323f67-5
0.270
AGN-NEW-9315dc74-4
0.270
SIM-SYN-3099a863-1
0.269
FRA-DIA-8640f307-1
0.269
DAR-DIA-37454fd7-3
0.266
FRA-DIA-8640f307-3
0.265
AAR-UNI-c25c2f1e-95
0.265
FRA-DIA-3f9ae552-1
0.261
PET-SGC-210d4c30-1
0.260
DAR-DIA-37454fd7-1
0.260
IFT-SAT-023cfffe-5
0.259
DAR-DIA-6a508060-14
0.255
FRA-DIA-8640f307-2
0.254
SIM-SYN-7db9eb24-2
0.252
ROD-LAS-d5538ff9-3
0.247
DAR-DIA-6a508060-16
0.246
DAR-DIA-37454fd7-2
0.244
AAR-UNI-c25c2f1e-4
0.231
AAR-UNI-c25c2f1e-3
0.231
JAC-SHE-cfe9e938-1
0.230
AAR-UNI-c25c2f1e-88
0.230
MAR-TRE-9d18ae8c-16
0.229
SIM-SYN-3099a863-2
0.229
RED-RED-10c9212c-55
0.221
PET-SGC-2aaf6909-1
0.220
MAR-TRE-04c86cea-82
0.219
SAD-SAT-cefd50cc-2
0.219
SID-ELM-8b394441-18
0.216
MAR-TRE-f6f5f473-77
0.215
GIA-UNK-d2defdc3-1
0.214
DAR-DIA-03336633-14
0.212
SID-ELM-2583a2cd-15
0.212
MAR-TRE-9d18ae8c-34
0.211
MAR-TRE-fd17a9b8-96
0.211
MAR-TRE-c8530538-59
0.208
MAR-TRE-a78003aa-96
0.204
MAK-UNK-f2409524-10
0.202
PHI-UNK-c3ab17cb-1
0.202
CLI-TLC-0b41e95c-1
0.202
JOR-UNI-61e7b1d5-21
0.200
ALP-POS-02c6a514-23
0.200
ALP-POS-b0bc6a46-14
0.200
NIM-NMI-8bb27a2b-1
0.198
ERI-UCB-fbdd3ea1-5
0.198
MAK-UNK-f2409524-3
0.198
MAR-TRE-a78003aa-13
0.198
IFT-SAT-023cfffe-4
0.197
MAR-TRE-0fda4e82-42
0.196
JUL-TUD-06b2044f-114
0.196
LIZ-THE-8e85e675-2
0.196
GIA-UNK-d2defdc3-3
0.196
JOR-UNI-61e7b1d5-19
0.195
MAK-UNK-f2409524-30
0.195
NIM-UNI-bb9030bf-10
0.194
MAR-TRE-7f7bb9f0-64
0.194
MAR-TRE-67513f76-95
0.194
MAR-TRE-a78003aa-14
0.194
SID-ELM-8b394441-17
0.194
SID-ELM-b654bfa2-9
0.194
WIL-UNI-1faa9b10-41
0.193
MAT-POS-ea426761-35
0.193
MAR-TRE-e82e6c98-34
0.192
MAR-TRE-a78003aa-18
0.192
WAR-XCH-bdd24732-13
0.191
MAT-POS-6da3605a-1
0.191
JAG-UCB-1d922829-7
0.191
MAR-TRE-74c6519b-49
0.191
CHO-MSK-6e55470f-2
0.191
DRA-CSI-7ec17797-17
0.191
MAR-TRE-9c797165-53
0.190
MAR-TRE-8a25d817-62
0.189
DAR-DIA-eace69ff-17
0.189
JUA-UNI-b93289a4-1
0.189
AND-WAB-7d3788f1-1
0.189
SID-ELM-8b394441-16
0.188
MAR-TRE-04c86cea-84
0.188
WAR-XCH-72a8c209-13
0.188
SAN-PRS-52b81272-1
0.188
JUA-UNI-a9dfaed1-1
0.188
JAN-GHE-d851b096-7
0.187
SID-ELM-8b394441-25
0.187
WIL-UNI-5578df48-17
0.187