Molecular Properties | |
SMILES: | CC(=O)Oc1ccc2c(c1)OCO2 |
MW: | 180.04 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 44.76 |
cLogP: | 1.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phenol ester
Carboxylic acid esters
Filter58_polyphenol2
Ester
Phenylester
AAR-POS-0daf6b7e-43
JOH-IMS-0f19a540-3
1.000
MAR-TRE-6c5ef77a-13
0.421
KRI-MAR-d2e3ef86-14
0.418
MAR-TRE-e86a56b5-54
0.377
JOH-IMS-0f19a540-7
0.377
JOH-IMS-0f19a540-1
0.364
JOH-IMS-7e73aedd-7
0.364
JOH-IMS-7e73aedd-2
0.362
JOH-IMS-0f19a540-10
0.352
AAR-POS-d2a4d1df-31
0.350
AAR-POS-0daf6b7e-43
0.350
JOH-IMS-0f19a540-12
0.348
JOH-UNI-e19b918c-4
0.344
BRU-UNI-418e22dc-10
0.338
JOH-IMS-0f19a540-13
0.338
CHR-UNL-7577488f-1
0.338
JON-UNI-93996c9d-5
0.333
MAR-TRE-fd17a9b8-13
0.328
MAK-UNK-7c9d1431-14
0.323
SAD-SAT-2ceae68f-8
0.323
JOH-UNI-e19b918c-9
0.322
MAR-TRE-36bf7dba-42
0.315
JOH-IMS-0f19a540-2
0.311
JOH-IMS-7e73aedd-8
0.311
LON-WEI-b8d98729-3
0.310
LON-WEI-8f408cad-11
0.310
ROD-LAS-d5538ff9-6
0.308
JOH-UNI-e19b918c-8
0.306
MAR-TRE-a9136c7b-62
0.306
MAR-TRE-8a25d817-17
0.304
JOH-IMS-0f19a540-11
0.303
JOH-IMS-0f19a540-14
0.303
JON-UNI-93996c9d-3
0.303
MAR-TRE-aca67d11-9
0.300
MAR-TRE-6a44bbf2-60
0.295
JAR-KUA-8c13982c-4
0.295
MAR-TRE-fd17a9b8-77
0.292
JOH-IMS-7e73aedd-1
0.290
JOH-IMS-0f19a540-8
0.290
MAR-TRE-fd17a9b8-38
0.290
NJA-MAN-b9fb953f-2
0.289
MAR-TRE-e86a56b5-96
0.288
MAR-TRE-e86a56b5-44
0.287
MAK-UNK-c8c8f7e2-1
0.286
JOH-UNI-e19b918c-5
0.286
MAR-TRE-d3c2bf0e-27
0.286
MAR-TRE-4f781e27-53
0.282
MAR-TRE-9d18ae8c-66
0.282
JOH-UNI-e19b918c-10
0.281
ROD-LAS-d5538ff9-5
0.280
MAR-TRE-8190bb11-17
0.280
MAR-TRE-a9136c7b-71
0.280
JOH-UNI-e19b918c-6
0.280
MAR-TRE-a3327163-38
0.275
MAR-TRE-fd17a9b8-7
0.273
JOH-UNI-e19b918c-11
0.270
JAR-KUA-8c13982c-15
0.264
MAR-TRE-d0525fbf-13
0.264
KEI-TRE-d5e2018a-5
0.263
MAR-TRE-f5c2d31c-59
0.263
MAR-TRE-fd17a9b8-44
0.262
DAV-UNK-07f953a2-3
0.261
MAT-POS-b5746674-30
0.260
JOH-IMS-0f19a540-9
0.260
MAR-TRE-14ce9fd6-23
0.260
MAR-TRE-d0525fbf-19
0.259
MAR-TRE-e86a56b5-72
0.256
MAT-POS-ea426761-16
0.254
MAR-TRE-a3327163-47
0.253
MAR-TRE-7f7bb9f0-28
0.253
MAR-TRE-d0525fbf-40
0.253
MAT-POS-b5746674-88
0.253
MAR-TRE-e86a56b5-78
0.250
MAR-TRE-e86a56b5-95
0.250
MAR-TRE-2fd8122f-71
0.250
NIM-UNI-43fe0159-9
0.250
MAR-TRE-d0525fbf-57
0.247
LON-WEI-adc59df6-43
0.247
MAR-TRE-d0525fbf-39
0.247
JOH-UNI-e19b918c-3
0.247
ROD-UFR-d767f115-1
0.247
JOH-UNI-e19b918c-13
0.246
MAT-POS-b5746674-90
0.244
LON-WEI-5e7d1b3e-55
0.244
LON-WEI-4d77710c-55
0.244
MAR-TRE-92684b97-22
0.244
JAR-KUA-8c13982c-12
0.244
JOH-UNI-e19b918c-12
0.242
MAR-TRE-0fda4e82-9
0.240
MAR-TRE-b77b7921-56
0.239
MAR-TRE-e86a56b5-80
0.238
MAR-TRE-d0525fbf-52
0.236
LON-WEI-5e7d1b3e-10
0.236
LON-WEI-4d77710c-10
0.236
WIL-UCB-7ba4ac3a-1
0.236
NAT-WAB-78d8bb1c-1
0.235
MAR-TRE-e86a56b5-4
0.235
ROD-UFR-74bef589-1
0.234
MAR-TRE-04c86cea-61
0.233
MAR-TRE-dab8f6ea-22
0.232