Molecular Properties | |
SMILES: | C1=C2CCN3Cc4cc5c(cc4C(C4OC14)C23)OCO5 |
MW: | 269.11 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 0 |
TPSA: | 34.23 |
cLogP: | 1.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
isolated alkene
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
AAR-POS-d2a4d1df-31
MAN-UBA-9f922de6-1
0.603
MAR-TRE-ebcc4ad6-24
0.603
JOH-UNI-e19b918c-1
0.532
JOH-UNI-e19b918c-2
0.422
JOH-UNI-e19b918c-5
0.250
JOH-UNI-e19b918c-10
0.247
ZHA-UNK-6154d07a-3
0.245
JOH-UNI-e19b918c-6
0.240
JOH-UNI-e19b918c-13
0.238
JOH-UNI-e19b918c-12
0.235
JOH-UNI-e19b918c-14
0.218
JOH-UNI-e19b918c-3
0.214
JOH-IMS-0f19a540-14
0.211
JOH-UNI-e19b918c-11
0.206
KEI-TRE-fa9ada3e-15
0.206
JOH-IMS-0f19a540-13
0.196
AAR-POS-0daf6b7e-43
0.195
MAR-TRE-d3c2bf0e-27
0.195
JOH-IMS-7e73aedd-7
0.195
JOH-IMS-0f19a540-1
0.195
BRU-UNI-248b30bc-51
0.195
ROD-LAS-d5538ff9-6
0.190
MAR-TRE-8a25d817-17
0.189
JOH-IMS-0f19a540-7
0.189
CHR-UNL-7577488f-1
0.188
JOH-IMS-7e73aedd-2
0.186
MAK-UNK-7c9d1431-14
0.185
JOH-IMS-0f19a540-2
0.184
JOH-IMS-7e73aedd-8
0.184
MAT-POS-b5746674-88
0.183
JOH-UNI-e19b918c-8
0.182
MAR-TRE-a9136c7b-62
0.182
MAR-TRE-a3327163-38
0.179
JOH-IMS-7e73aedd-1
0.179
MAR-TRE-fd17a9b8-38
0.179
MAR-TRE-aca67d11-9
0.175
JOH-UNI-e19b918c-9
0.174
ROD-LAS-d5538ff9-5
0.174
ROD-UFR-9b69e111-1
0.173
JOH-IMS-0f19a540-3
0.173
JOH-IMS-7e73aedd-9
0.173
MAT-POS-b5746674-52
0.172
SAD-SAT-2ceae68f-8
0.172
JOH-IMS-0f19a540-11
0.172
MAT-POS-b5746674-30
0.171
JOH-IMS-0f19a540-10
0.171
BRU-UNI-248b30bc-2
0.171
MAR-TRE-f5c2d31c-59
0.170
JON-UNI-93996c9d-5
0.168
JAR-KUA-8c13982c-12
0.168
MAR-TRE-04c86cea-28
0.168
JAR-KUA-8c13982c-15
0.167
JOH-IMS-0f19a540-12
0.167
JOH-IMS-0f19a540-8
0.167
MAR-TRE-8190bb11-17
0.167
ROD-LAS-d5538ff9-8
0.165
MAR-TRE-b77b7921-38
0.164
MAR-UCB-195bc32d-41
0.164
MAT-POS-b5746674-90
0.164
ROD-UFR-d5063330-1
0.164
MAR-TRE-fd17a9b8-7
0.163
ROD-UFR-87309d29-1
0.163
MAR-TRE-e86a56b5-54
0.163
LUO-POS-868e8996-10
0.163
LUO-POS-868e8996-9
0.163
MAT-POS-1bed62cf-1
0.163
MAR-TRE-fd17a9b8-44
0.162
NAU-LAT-64bf4c5d-5
0.162
BRU-UNI-418e22dc-12
0.162
JON-UNI-93996c9d-3
0.162
JOH-IMS-0f19a540-9
0.162
MAR-TRE-e86a56b5-96
0.161
PET-UNK-df7eb4e6-4
0.160
PET-UNK-df7eb4e6-8
0.160
LON-WEI-b8d98729-3
0.160
LON-WEI-8f408cad-11
0.160
MAR-TRE-6a44bbf2-60
0.159
JAR-KUA-8c13982c-4
0.159
JOH-UNI-3267ef54-1
0.159
BRU-UNI-418e22dc-10
0.158
MAR-TRE-7f7bb9f0-28
0.158
RAI-NOV-a7d52b4a-3
0.157
MAR-TRE-dab8f6ea-22
0.157
PET-UNK-94036022-4
0.156
PET-UNK-94036022-11
0.156
PET-UNK-19e211a9-4
0.156
ROD-UFR-0ea09143-1
0.156
AAR-POS-d2a4d1df-31
0.156
MAR-TRE-6c5ef77a-13
0.156
MAR-TRE-a9136c7b-71
0.155
MAR-TRE-b77b7921-79
0.154
ROD-UFR-7c6582a7-1
0.154
JOH-UNI-e19b918c-4
0.154
MAR-TRE-e86a56b5-4
0.153
FAR-UNI-9a76d7b5-3
0.153
AAR-POS-fca48359-13
0.153
NJA-MAN-b9fb953f-2
0.152
ROD-UFR-93b30032-1
0.152
EDG-MED-fe7487f8-12
0.152
BEN-DND-d1eb1f41-8
0.150