Molecular Properties | |
SMILES: | O=C(O)CCc1ccc(O)cc1 |
MW: | 166.06 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.53 |
cLogP: | 1.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-50375 |
Enamine SCR: | Z317038012 |
Mcule: | MCULE-6058509896 |
MolPort: | MolPort-001-769-769 |
MAR-UCB-195bc32d-43
0.512
MAR-TRE-8a25d817-26
0.404
GIA-UNK-a33ae3bd-1
0.382
MAR-TRE-e86a56b5-99
0.375
MAR-TRE-e86a56b5-63
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MAR-TRE-fffca54f-96
0.370
MAR-TRE-e86a56b5-45
0.347
MAR-TRE-e86a56b5-62
0.347
MAR-TRE-e86a56b5-47
0.333
MAR-TRE-e86a56b5-58
0.333
MAR-TRE-e86a56b5-6
0.327
MAR-TRE-e86a56b5-39
0.327
MAR-TRE-e86a56b5-98
0.327
MAR-TRE-e86a56b5-65
0.326
MAR-TRE-e86a56b5-11
0.321
MAR-TRE-1c920f6f-59
0.320
MAR-TRE-e86a56b5-56
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MAR-TRE-85681e92-70
0.315
MAR-TRE-e86a56b5-31
0.315
MAR-TRE-e86a56b5-81
0.315
MAR-TRE-e86a56b5-46
0.310
MAR-TRE-e86a56b5-69
0.309
MAR-TRE-d3c2bf0e-8
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MAR-TRE-e86a56b5-15
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MAR-TRE-e86a56b5-21
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MAR-TRE-e86a56b5-67
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MAR-TRE-e86a56b5-37
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MAR-TRE-e86a56b5-66
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MAR-TRE-ebcc4ad6-45
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MAR-TRE-4f39ef4a-40
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MAR-TRE-e86a56b5-50
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MAR-TRE-e86a56b5-28
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VOL-CHA-d666e5ae-5
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AAR-POS-d2a4d1df-16
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MAR-TRE-e86a56b5-55
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MAR-TRE-85681e92-51
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MAR-TRE-4f39ef4a-25
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MAR-TRE-e86a56b5-19
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MAR-TRE-fffca54f-47
0.276
MAR-TRE-e86a56b5-5
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MAR-TRE-e86a56b5-25
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MAR-TRE-e86a56b5-73
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VOL-CHA-d666e5ae-3
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VOL-CHA-d666e5ae-4
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MAR-TRE-8a25d817-46
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NIC-BIO-a68395b7-3
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NIC-BIO-a68395b7-5
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MAR-TRE-4f39ef4a-41
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MAR-TRE-e86a56b5-42
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NAU-LAT-64f4b287-6
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MAR-TRE-e86a56b5-36
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MAK-UNK-c44f4be0-14
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RAM-UNK-6a5d9687-1
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MAK-UNK-c44f4be0-8
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MAR-TRE-4f39ef4a-52
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MAR-TRE-e86a56b5-97
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MAK-UNK-c44f4be0-9
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MAR-TRE-e86a56b5-2
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NIC-BIO-a68395b7-2
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VOL-CHA-d666e5ae-2
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MAR-TRE-e86a56b5-57
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NEL-UNI-1464a899-5
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MAK-UNK-c44f4be0-7
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MAR-TRE-e86a56b5-30
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MAR-TRE-9d18ae8c-47
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TRY-UNI-9f475305-11
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MAR-TRE-9d18ae8c-89
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MAR-TRE-aca67d11-65
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MAK-UNK-c44f4be0-6
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MAR-UNI-c84db004-3
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VOL-CHA-d666e5ae-1
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NIC-BIO-a68395b7-4
0.239
MAR-TRE-8a25d817-33
0.238
MAR-TRE-4f39ef4a-27
0.238
NIM-UNI-ed9fc491-2
0.236
JAN-LUN-8953ce76-1
0.235
JAN-LUN-3e0f9c09-4
0.235
MAR-TRE-e86a56b5-84
0.235
JAN-LUN-8953ce76-7
0.235
ANT-DIA-b7f58f21-4
0.234
NIM-UNI-ed9fc491-3
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NIC-BIO-a68395b7-1
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MAR-TRE-aca67d11-72
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TRY-UNI-9f475305-10
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MAR-TRE-4f39ef4a-55
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AAR-UNI-c25c2f1e-33
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MAK-UNK-c44f4be0-10
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MAR-UCB-195bc32d-14
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MAK-UNK-c44f4be0-11
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MAR-TRE-fffca54f-71
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MAR-TRE-9d18ae8c-14
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MAR-TRE-a78003aa-70
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MAR-TRE-9d18ae8c-20
0.224
NIM-UNI-ed9fc491-1
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SEA-TRI-8252c13b-1
0.222
MAR-TRE-aca67d11-76
0.222
JAY-JBL-db550ec5-2
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MAR-TRE-e86a56b5-64
0.222
MAR-TRE-67513f76-58
0.222