Molecular Properties | |
SMILES: | CC(=O)O[C@@H]1OC[C@H]2C=C(C3(C)CCCCC3)CC[C@H]21 |
MW: | 278.19 |
Fraction sp3: | 0.82 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 35.53 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
Carboxylic acid esters
acetal
Ester
KEN-BAY-a5d2a46d-1
0.712
KEN-BAY-d8ca960f-1
0.402
KEN-UNK-444762e5-1
0.402
KEN-BAY-d83a0d65-1
0.302
KEN-BAY-2a84be4b-1
0.302
MAR-UNI-c84db004-1
0.281
MAR-UNI-c84db004-10
0.269
MAR-TRE-e86a56b5-72
0.200
NIM-UNI-43fe0159-9
0.198
JOH-IMS-0f19a540-12
0.189
NIM-UNI-43fe0159-10
0.189
MAR-TRE-e86a56b5-44
0.186
JOH-IMS-0f19a540-7
0.186
MAR-TRE-d0525fbf-100
0.185
PRA-UNK-b610212c-1
0.183
EDG-MED-21720aac-3
0.182
ZHA-UNK-6154d07a-7
0.181
MAR-TRE-fd17a9b8-77
0.181
MAK-UNK-c8c8f7e2-19
0.181
NIM-UNI-43fe0159-8
0.178
BRU-UNI-248b30bc-45
0.176
MAR-TRE-fffca54f-29
0.176
ZHA-UNK-6154d07a-8
0.176
JOH-IMS-0f19a540-8
0.176
MAK-UNK-f983951f-20
0.176
MED-UNK-e6e8ef8a-6
0.174
ALP-POS-e980f4ea-57
0.173
MAR-TRE-e86a56b5-80
0.173
MAR-TRE-04c86cea-20
0.172
CHR-SOS-59746812-4
0.172
MAR-TRE-e86a56b5-4
0.171
NIM-UNI-43fe0159-7
0.170
BRU-UNI-248b30bc-3
0.169
JOH-IMS-7e73aedd-9
0.169
JOH-IMS-0f19a540-3
0.169
MAR-TRE-0fda4e82-57
0.169
MAR-TRE-4b834d9a-62
0.168
MAR-TRE-9d18ae8c-66
0.168
MAR-TRE-e82e6c98-99
0.167
CHL-FNM-edb70837-1
0.167
PET-SGC-1fc12be1-1
0.167
NIM-UNI-43fe0159-11
0.167
MAR-TRE-8190bb11-75
0.167
MAR-TRE-04c86cea-77
0.165
WAR-XCH-72a8c209-3
0.165
MAR-TRE-f6f5f473-52
0.165
WAR-XCH-79d12f6e-9
0.165
AAR-POS-0daf6b7e-43
0.165
MAR-TRE-6a44bbf2-25
0.165
MAK-UNK-0cb6a3ad-4
0.164
MAR-TRE-9d18ae8c-55
0.163
CHR-SOS-1f323c23-1
0.163
EDG-MED-21720aac-1
0.163
MAR-TRE-d0525fbf-39
0.162
EDG-MED-fe7487f8-11
0.162
NJA-MAN-b9fb953f-9
0.162
WAR-XCH-b0339bbe-10
0.162
JOK-SYG-8934678c-1
0.161
NIM-UNI-43fe0159-12
0.161
MAR-TRE-6a44bbf2-82
0.161
MAK-UNK-acefcb18-4
0.161
MAT-POS-b5746674-88
0.161
NIM-UNI-43fe0159-6
0.161
ASA-WEI-839d033f-1
0.161
ZHA-UNK-6154d07a-14
0.161
MAR-TRE-f6f5f473-89
0.160
MAR-TRE-9d18ae8c-86
0.160
MAR-TRE-b77b7921-52
0.160
MIC-UNK-d58dbb53-1
0.160
MAK-UNK-0cb6a3ad-6
0.160
MAR-TRE-b77b7921-10
0.160
MAR-TRE-c317dd82-34
0.160
MAR-TRE-e82e6c98-34
0.160
MAR-TRE-c317dd82-93
0.160
CHA-KIN-ceadbd93-5
0.160
EDG-MED-ba1ac7b9-10
0.159
MIC-UNK-b904ca85-1
0.159
MAR-UCB-fd2e172f-39
0.159
AAR-POS-d2a4d1df-33
0.159
RAM-SYN-2a37ce6c-8
0.159
MAR-TRE-6a44bbf2-39
0.159
MAR-TRE-c317dd82-31
0.159
ALP-POS-e980f4ea-61
0.159
MAR-TRE-e82e6c98-86
0.158
CHA-KIN-ceadbd93-4
0.158
PET-UNK-48ab5cd7-5
0.158
VOL-CHA-cc800c76-2
0.158
MAR-TRE-36bf7dba-71
0.158
RUB-POS-1325a9ea-24
0.158
MAR-TRE-4b834d9a-28
0.158
MAR-TRE-6a44bbf2-14
0.158
ALP-UNI-dbbfd3db-15
0.157
MAK-UNK-7a704a63-22
0.157
MAR-TRE-6a44bbf2-35
0.157
EDG-MED-21720aac-2
0.157
MAR-TRE-e86a56b5-95
0.157
JAG-UCB-c61058a9-23
0.157
MAR-TRE-e86a56b5-78
0.157
CHR-SOS-70e4c98a-1
0.156
LON-WEI-8f408cad-11
0.156