Molecular Properties | |
SMILES: | COc1cc(O)cc(OC)c1C[C@H](NC(=O)c1ccccc1)C(=O)O |
MW: | 345.12 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 105.09 |
cLogP: | 1.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter57_polyphenol1
MAR-TRE-e86a56b5-41
0.559
MAR-TRE-e86a56b5-85
0.458
MAR-TRE-e86a56b5-46
0.429
MAR-TRE-e86a56b5-69
0.412
MAR-TRE-66ac689e-87
0.358
MAR-TRE-e86a56b5-35
0.342
MAR-TRE-4f781e27-56
0.333
MAR-TRE-e86a56b5-64
0.324
JAR-IMP-dd656357-4
0.307
MAR-TRE-e86a56b5-63
0.299
MAR-TRE-fffca54f-96
0.299
MAR-TRE-e86a56b5-55
0.295
MAR-TRE-e86a56b5-67
0.293
LON-WEI-1908424e-9
0.292
MAR-TRE-4f781e27-24
0.291
MAR-TRE-e86a56b5-66
0.289
MAR-TRE-e86a56b5-62
0.286
MAR-TRE-e86a56b5-45
0.286
MAR-TRE-8190bb11-48
0.282
MAR-TRE-fd17a9b8-75
0.282
MAR-TRE-be9ff7d2-10
0.281
MAR-TRE-92684b97-5
0.279
MAR-TRE-e86a56b5-73
0.278
MAR-TRE-e86a56b5-47
0.278
MAR-TRE-9d18ae8c-99
0.277
MAR-TRE-be9ff7d2-86
0.277
MAR-TRE-4f781e27-93
0.276
MAR-TRE-a9136c7b-49
0.274
MAR-TRE-92684b97-98
0.273
MAR-TRE-e82e6c98-100
0.272
CHR-SOS-7098f804-9
0.270
MAR-TRE-92684b97-32
0.270
MAR-TRE-e86a56b5-31
0.267
MAR-TRE-92684b97-97
0.267
MAR-TRE-be9ff7d2-9
0.267
ARI-TAT-5792557e-28
0.265
MAR-TRE-be9ff7d2-84
0.265
MAR-TRE-799db12b-79
0.265
MAR-TRE-66ac689e-81
0.265
MAT-POS-8fd29122-1
0.265
ALP-POS-8df010a9-1
0.263
MAR-TRE-8190bb11-17
0.261
MAR-TRE-e86a56b5-52
0.260
MAR-TRE-85681e92-91
0.260
MAR-TRE-e82e6c98-20
0.259
MAR-TRE-6a44bbf2-71
0.256
MAR-TRE-8190bb11-18
0.256
MAR-TRE-e86a56b5-49
0.254
AAR-UNI-c25c2f1e-9
0.253
DAR-DIA-8e329c92-3
0.253
ARI-TAT-5792557e-29
0.253
MAR-TRE-66ac689e-19
0.253
MAR-TRE-9d18ae8c-24
0.253
MAR-TRE-f5c2d31c-58
0.253
DRA-CSI-3ab97369-8
0.253
MAK-UNK-f983951f-22
0.250
BEN-DND-7e92b6ca-1
0.250
MAR-TRE-e86a56b5-90
0.250
MAR-TRE-8190bb11-70
0.250
MAR-TRE-92684b97-8
0.250
MAR-TRE-f5c2d31c-55
0.247
MAR-TRE-4f39ef4a-25
0.247
MAR-TRE-8190bb11-68
0.247
MAR-TRE-4f781e27-20
0.247
FAR-UNI-a04c1544-1
0.247
MAR-TRE-be9ff7d2-61
0.247
MAR-TRE-66ac689e-48
0.247
MAR-TRE-66ac689e-84
0.247
MAR-TRE-8190bb11-11
0.247
MAR-TRE-fd17a9b8-61
0.247
AAR-POS-0daf6b7e-5
0.247
LYN-UNI-7bb260d6-12
0.247
MAR-TRE-e86a56b5-83
0.247
SHA-THE-408e7524-9
0.245
MAR-TRE-9d18ae8c-9
0.244
MAR-TRE-66ac689e-97
0.244
MAR-TRE-a78003aa-87
0.244
MAR-TRE-66ac689e-41
0.244
MAR-TRE-92684b97-77
0.244
MAR-TRE-be9ff7d2-3
0.244
MAR-TRE-66ac689e-18
0.244
BRU-UNI-248b30bc-41
0.243
UNK-CYC-68f84b31-6
0.243
MAR-TRE-423310b6-7
0.240
MAR-TRE-85681e92-20
0.239
MAR-TRE-8190bb11-23
0.239
MAR-TRE-4f781e27-9
0.239
MAR-TRE-4f781e27-69
0.239
MAR-TRE-e86a56b5-97
0.239
DRA-CSI-47e38074-15
0.239
WIL-UNI-1faa9b10-9
0.239
MAR-TRE-74c6519b-72
0.238
MAR-TRE-66ac689e-93
0.238
AAR-UNI-c25c2f1e-65
0.238
AAR-UNI-c25c2f1e-2
0.238
AAR-UNI-c25c2f1e-82
0.238
MAR-TRE-e86a56b5-54
0.237
MAR-TRE-8190bb11-71
0.237
DAR-DIA-8e329c92-6
0.237
MAR-TRE-c317dd82-41
0.237