Molecular Properties | |
SMILES: | O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 |
MW: | 285.343 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 38.77 |
cLogP: | 2.9972 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2161604269 |
MolPort: | MolPort-001-759-210 |
polyene
Activated double bonds (2)
vinyl michael acceptor1
Diene
Polyene
phenylethene
AAR-POS-d2a4d1df-1
LON-WEI-8f408cad-11
1.000
AAR-POS-0daf6b7e-43
0.397
SAD-SAT-2ceae68f-8
0.338
MAK-UNK-7c9d1431-14
0.321
JOH-IMS-0f19a540-3
0.310
JOH-IMS-7e73aedd-9
0.310
CHR-UNL-7577488f-1
0.302
BRU-UNI-418e22dc-10
0.301
MAR-TRE-e86a56b5-54
0.280
JOH-UNI-e19b918c-5
0.274
KEI-TRE-d5e2018a-21
0.273
JOH-UNI-e19b918c-4
0.272
JOH-IMS-0f19a540-13
0.271
MAR-TRE-fd17a9b8-77
0.267
JOH-IMS-0f19a540-7
0.265
JOH-IMS-0f19a540-1
0.263
JOH-IMS-7e73aedd-7
0.263
JOH-UNI-e19b918c-13
0.259
JOH-UNI-e19b918c-8
0.259
AAR-POS-d2a4d1df-31
0.259
JOH-UNI-e19b918c-6
0.258
MAR-TRE-36bf7dba-42
0.258
ROD-LAS-d5538ff9-6
0.255
JOH-UNI-e19b918c-10
0.253
JOH-UNI-e19b918c-9
0.253
MAR-TRE-e86a56b5-44
0.253
JOH-IMS-0f19a540-8
0.250
JOH-IMS-0f19a540-12
0.250
JOH-IMS-7e73aedd-2
0.250
MAR-TRE-a9136c7b-62
0.250
MAR-TRE-9d18ae8c-66
0.247
MAR-TRE-8a25d817-17
0.247
JOH-UNI-e19b918c-3
0.245
MAR-TRE-a9136c7b-71
0.245
MAR-TRE-aca67d11-9
0.244
JOH-IMS-0f19a540-14
0.244
MAR-TRE-d3c2bf0e-27
0.244
LON-WEI-ff7b210a-1
0.243
JAR-KUA-8c13982c-12
0.242
MAR-TRE-a3327163-38
0.242
BRU-UNI-248b30bc-7
0.241
JOH-UNI-e19b918c-12
0.241
MAT-POS-b5746674-52
0.241
MAR-TRE-e86a56b5-72
0.240
MAR-TRE-fd17a9b8-7
0.240
JON-UNI-93996c9d-5
0.239
MAR-TRE-04c86cea-28
0.238
JOH-IMS-0f19a540-10
0.237
JOH-UNI-e19b918c-11
0.237
MAR-TRE-fd17a9b8-13
0.236
MAR-TRE-fd17a9b8-38
0.236
MAR-TRE-3e4e6814-38
0.235
MAR-TRE-b77b7921-38
0.235
DAV-UNK-07f953a2-3
0.234
MAR-TRE-fd17a9b8-44
0.233
MAR-TRE-e86a56b5-96
0.233
MAR-TRE-dab8f6ea-22
0.232
MAR-TRE-d0525fbf-19
0.231
JOH-IMS-0f19a540-11
0.230
MAT-POS-b5746674-88
0.228
MAR-TRE-d0525fbf-40
0.227
NJA-MAN-b9fb953f-2
0.227
MAR-TRE-7f7bb9f0-28
0.226
JON-UNI-93996c9d-3
0.224
MAR-TRE-e86a56b5-4
0.223
JOH-IMS-7e73aedd-1
0.222
MAR-TRE-e86a56b5-78
0.222
MAR-TRE-e86a56b5-95
0.222
MAR-TRE-4f781e27-53
0.222
BRU-UNI-248b30bc-44
0.220
MAR-TRE-f5c2d31c-59
0.220
MAK-UNK-7c9d1431-18
0.220
MAR-TRE-8190bb11-17
0.219
BRU-UNI-248b30bc-1
0.218
JOH-IMS-7e73aedd-8
0.217
JOH-IMS-0f19a540-2
0.217
MAR-TRE-b77b7921-56
0.216
MAR-TRE-6a44bbf2-54
0.216
MAK-UNK-7c9d1431-16
0.216
JOH-IMS-0f19a540-9
0.215
MAR-TRE-6a44bbf2-14
0.215
MAR-TRE-d0525fbf-13
0.214
MAR-TRE-6c5ef77a-13
0.214
MAT-POS-b5746674-30
0.214
MAR-TRE-e86a56b5-80
0.214
MAR-TRE-d0525fbf-52
0.213
MAK-UNK-7c9d1431-2
0.213
MAR-TRE-6a44bbf2-36
0.213
MAR-TRE-d0525fbf-57
0.212
NAT-WAB-78d8bb1c-1
0.212
ROD-LAS-d5538ff9-5
0.212
MAR-TRE-d0525fbf-39
0.211
CLI-UNI-032f7715-1
0.211
BEN-DND-03ad4429-4
0.211
LON-WEI-4d77710c-55
0.209
LON-WEI-5e7d1b3e-55
0.209
MAR-TRE-04c86cea-37
0.209
SAD-SAT-d8079f6f-3
0.209
MAR-TRE-74c6519b-22
0.209
MAR-TRE-92684b97-22
0.208