Molecular Properties | |
SMILES: | O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 |
MW: | 198.05 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 97.99 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1155965360 |
MolPort: | MolPort-027-836-277 |
catechol
catechol_A(92)
MAR-TRE-fffca54f-79
0.512
MAR-TRE-85681e92-46
0.464
MAR-TRE-4f39ef4a-21
0.424
MAR-TRE-8190bb11-97
0.400
MAR-TRE-e86a56b5-35
0.397
MAR-TRE-e86a56b5-71
0.380
MAR-TRE-e86a56b5-88
0.373
KEI-TRE-bda2794f-1
0.364
MAR-TRE-e86a56b5-40
0.358
MAR-TRE-e86a56b5-52
0.345
MAR-TRE-fffca54f-61
0.340
MAR-TRE-e86a56b5-20
0.340
MAR-TRE-d3c2bf0e-3
0.321
MAR-TRE-85681e92-42
0.308
MAR-TRE-85681e92-40
0.308
MAR-TRE-85681e92-78
0.308
FAB-ASS-ec2fd593-1
0.302
MAR-TRE-e86a56b5-32
0.293
MAR-TRE-e86a56b5-24
0.291
MAR-TRE-4f39ef4a-23
0.290
FAB-ASS-ec2fd593-2
0.289
MAR-TRE-4f39ef4a-30
0.284
MAR-TRE-4f39ef4a-13
0.284
MAR-TRE-4f39ef4a-24
0.279
MAR-TRE-e86a56b5-41
0.275
MAR-TRE-4f39ef4a-22
0.275
MAR-TRE-87acfbcc-93
0.274
NIC-BIO-7d400292-1
0.271
MAR-TRE-e86a56b5-51
0.269
MAR-TRE-85681e92-34
0.266
MAR-TRE-4f39ef4a-63
0.265
MAR-TRE-e86a56b5-45
0.263
MAR-TRE-e86a56b5-62
0.263
MAR-TRE-66ac689e-87
0.260
MAR-TRE-fffca54f-96
0.255
MAR-TRE-e86a56b5-63
0.255
MAR-TRE-e86a56b5-47
0.254
MAR-TRE-e86a56b5-92
0.254
MAR-TRE-e86a56b5-98
0.250
MAR-TRE-e86a56b5-39
0.250
MAR-TRE-e86a56b5-70
0.250
MAR-TRE-85681e92-56
0.246
MAR-TRE-85681e92-29
0.246
MAR-TRE-e86a56b5-11
0.246
MAR-TRE-e86a56b5-86
0.245
MAR-TRE-8a25d817-98
0.242
MAR-TRE-85681e92-70
0.242
MAR-TRE-e86a56b5-31
0.242
MAR-TRE-e86a56b5-81
0.242
MAR-TRE-e86a56b5-64
0.241
MAR-TRE-e86a56b5-99
0.241
MAR-TRE-e86a56b5-90
0.241
MAR-TRE-e86a56b5-55
0.239
MAR-TRE-85681e92-74
0.238
MAR-TRE-e86a56b5-85
0.236
RHY-UNK-4b26e9be-2
0.235
MAR-TRE-85681e92-91
0.234
MAR-TRE-e86a56b5-21
0.234
MAR-TRE-e86a56b5-6
0.234
MAR-TRE-e86a56b5-15
0.234
NIC-BIO-7d400292-3
0.234
MAR-TRE-36bf7dba-78
0.233
NIC-BIO-7d400292-2
0.233
MAR-TRE-e86a56b5-66
0.231
MAR-TRE-e86a56b5-37
0.231
MAR-TRE-ebcc4ad6-38
0.229
MAR-TRE-e86a56b5-54
0.227
MAR-TRE-4f39ef4a-40
0.227
MAR-TRE-d3c2bf0e-7
0.226
LAU-OPA-3eee07c1-2
0.226
MAR-TRE-ebcc4ad6-35
0.224
MAR-UCB-195bc32d-43
0.224
MAR-TRE-e86a56b5-49
0.224
MAR-TRE-e86a56b5-46
0.224
MAR-TRE-4f39ef4a-44
0.224
MAR-TRE-8190bb11-76
0.221
MAR-TRE-e86a56b5-56
0.220
MAR-TRE-4f39ef4a-18
0.219
MAR-TRE-e86a56b5-25
0.216
MAR-UCB-195bc32d-4
0.215
MAR-TRE-e86a56b5-67
0.215
MAR-TRE-e86a56b5-5
0.214
HUN-WAB-7263dfed-1
0.214
MAR-TRE-4f39ef4a-10
0.214
MAR-TRE-87acfbcc-29
0.213
KEN-ILL-f8fa3277-1
0.213
NIC-BIO-7d400292-4
0.210
MAR-TRE-e86a56b5-42
0.210
DAV-CRI-3edb475e-3
0.210
CHR-SOS-7098f804-7
0.210
MAK-UNK-c44f4be0-1
0.209
ANT-LOU-17aa1493-1
0.208
MAR-TRE-85681e92-45
0.208
MAR-TRE-8190bb11-68
0.208
MAR-TRE-e86a56b5-18
0.208
JOH-IMS-54aa76a2-4
0.207
MAR-TRE-e86a56b5-58
0.207
MAR-TRE-d3c2bf0e-11
0.206
MAR-TRE-e86a56b5-28
0.206
AAR-POS-d2a4d1df-16
0.206