Molecular Properties | |
SMILES: | O=C(c1ccc2c(c1)OCO2)N1CCCCCC1 |
MW: | 247.294 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 38.77 |
cLogP: | 2.4315 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z31432226 |
Enamine REAL: | Z31432226 |
Enamine Extended REAL: | s_22____57673____58981 |
Mcule: | MCULE-7851867329 |
Mcule Ultimate: | ABPXISKFLMGPJG-UHFFFAOYSA-N |
MolPort: | MolPort-001-030-199 |
AAR-POS-d2a4d1df-1
JOH-UNI-e19b918c-6
0.458
CHR-UNL-7577488f-1
0.429
LON-WEI-b8d98729-3
0.397
LON-WEI-8f408cad-11
0.397
MAR-TRE-8a25d817-17
0.356
ROD-LAS-d5538ff9-6
0.354
MAR-TRE-aca67d11-9
0.351
SAD-SAT-2ceae68f-8
0.338
MAK-UNK-7c9d1431-14
0.338
MAR-TRE-a3327163-38
0.337
BRU-UNI-248b30bc-1
0.330
AAR-POS-d2a4d1df-31
0.324
JOH-UNI-e19b918c-4
0.319
MAR-TRE-e86a56b5-54
0.310
MAR-TRE-fd17a9b8-77
0.308
JOH-UNI-e19b918c-8
0.304
MAR-TRE-a9136c7b-62
0.304
JOH-UNI-e19b918c-9
0.299
MAR-TRE-9d18ae8c-66
0.298
ROD-LAS-d5538ff9-5
0.295
MAR-TRE-fd17a9b8-44
0.292
CLI-UNI-032f7715-1
0.290
MAR-TRE-fd17a9b8-13
0.289
MAR-TRE-fd17a9b8-7
0.289
JOH-UNI-e19b918c-5
0.286
JON-UNI-93996c9d-3
0.286
JOH-UNI-e19b918c-10
0.281
JON-UNI-93996c9d-5
0.276
MAT-POS-b5746674-30
0.275
MAR-TRE-e86a56b5-44
0.273
MAR-TRE-fd17a9b8-38
0.273
MAR-TRE-e86a56b5-72
0.272
JOH-UNI-e19b918c-11
0.272
MAR-TRE-d3c2bf0e-27
0.268
JOH-UNI-e19b918c-13
0.268
MAR-TRE-4f781e27-53
0.267
MAR-TRE-e86a56b5-78
0.267
MAR-TRE-e86a56b5-95
0.267
SAD-SAT-1f400d17-10
0.267
MAR-TRE-2fd8122f-71
0.266
MAR-TRE-36bf7dba-42
0.265
MAR-TRE-8190bb11-17
0.265
JOH-UNI-e19b918c-3
0.265
MAR-TRE-a9136c7b-71
0.265
MAR-TRE-a3327163-77
0.265
MAR-TRE-f5c2d31c-59
0.264
JOH-UNI-e19b918c-12
0.264
NJA-MAN-b9fb953f-2
0.259
MAT-POS-b5746674-52
0.258
MED-COV-4280ac29-14
0.257
MAK-UNK-6ca90168-15
0.257
ASH-SAT-43770c7d-10
0.257
BRU-UNI-248b30bc-44
0.257
MAR-TRE-e86a56b5-80
0.256
MAR-TRE-e86a56b5-96
0.253
MAR-TRE-e86a56b5-4
0.253
MAR-TRE-6c5ef77a-13
0.250
DAV-UNK-07f953a2-3
0.250
MAR-TRE-d0525fbf-19
0.247
MAR-TRE-92684b97-22
0.247
JAR-KUA-8c13982c-12
0.247
GIA-UNK-995df016-15
0.247
BRU-UNI-418e22dc-10
0.247
BRU-UNI-248b30bc-7
0.245
MAR-TRE-0fda4e82-9
0.244
MAR-TRE-d0525fbf-40
0.242
MAR-TRE-7f7bb9f0-28
0.242
MAR-TRE-d0525fbf-52
0.240
MAR-TRE-d0525fbf-39
0.237
MAR-TRE-dab8f6ea-22
0.235
LON-WEI-5e7d1b3e-55
0.235
LON-WEI-4d77710c-55
0.235
MAT-POS-b5746674-90
0.235
ALE-SYG-bac15da4-2
0.235
AAR-POS-fca48359-13
0.234
FAR-UNI-9a76d7b5-3
0.234
MAR-LAB-ff9967db-23
0.233
SAD-SAT-d8079f6f-5
0.232
LON-WEI-b2874fec-1
0.231
JOO-IND-6372a4f3-1
0.231
MAR-TRE-b77b7921-56
0.230
SAD-SAT-d8079f6f-6
0.228
AAR-POS-d2a4d1df-38
0.228
MAR-TRE-d0525fbf-80
0.228
MAR-TRE-3e4e6814-38
0.227
LON-WEI-5e7d1b3e-10
0.227
LON-WEI-4d77710c-10
0.227
MAT-POS-b5746674-24
0.226
LUI-IND-a1be81af-3
0.225
SAD-SAT-89668ff1-2
0.224
KOV-VNK-5e1a909f-5
0.223
KOV-VNK-5e1a909f-7
0.222
MAR-TRE-6a44bbf2-60
0.222
JOO-IND-6372a4f3-2
0.222
KOV-VNK-5e1a909f-6
0.221
LON-WEI-ff7b210a-1
0.221
GIA-UNK-5ec6c2b8-1
0.221
LON-WEI-b2874fec-9
0.220
JOO-IND-6372a4f3-3
0.220
MAR-TRE-04c86cea-28
0.219