Molecular Properties | |
SMILES: | COc1cc(C[C@@H](NC(=O)c2ccccc2)C(=O)O)ccc1O |
MW: | 315.11 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 95.86 |
cLogP: | 1.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8655667806 |
MAR-TRE-66ac689e-87
0.676
MAR-TRE-e86a56b5-94
0.559
MAR-TRE-e86a56b5-52
0.500
MAR-TRE-e86a56b5-46
0.486
MAR-TRE-e86a56b5-35
0.447
MAR-TRE-e86a56b5-69
0.429
MAR-TRE-4f781e27-56
0.400
MAR-TRE-e86a56b5-64
0.362
MAR-TRE-e86a56b5-66
0.342
MAR-TRE-8190bb11-17
0.337
MAR-TRE-66ac689e-81
0.329
MAR-TRE-e86a56b5-55
0.329
MAR-TRE-e86a56b5-67
0.329
MAR-TRE-8190bb11-23
0.326
MAR-TRE-4f781e27-24
0.325
MAR-TRE-e86a56b5-62
0.324
LON-WEI-1908424e-9
0.322
MAR-TRE-85681e92-40
0.321
MAR-TRE-85681e92-42
0.321
MAR-TRE-e86a56b5-63
0.319
MAR-TRE-fffca54f-96
0.319
MAR-TRE-85681e92-46
0.316
MAR-TRE-66ac689e-19
0.311
MAR-TRE-9d18ae8c-24
0.311
MAR-TRE-e86a56b5-45
0.306
MAR-TRE-85681e92-78
0.305
MAR-TRE-e86a56b5-54
0.304
MAR-TRE-92684b97-98
0.303
MAR-TRE-36bf7dba-52
0.299
MAR-TRE-d3c2bf0e-66
0.299
MAR-TRE-e86a56b5-47
0.297
MAR-TRE-9d18ae8c-19
0.297
MAR-TRE-8190bb11-70
0.295
MAR-TRE-85681e92-91
0.295
JAR-IMP-dd656357-4
0.293
MAR-TRE-e86a56b5-32
0.293
MAR-TRE-8190bb11-97
0.293
MAR-TRE-66ac689e-97
0.291
NIC-BIO-7d400292-1
0.291
MAR-TRE-87acfbcc-81
0.291
MAR-TRE-8190bb11-76
0.289
MAK-UNK-f983951f-22
0.288
MAR-TRE-e86a56b5-40
0.288
MAR-TRE-e86a56b5-31
0.286
MAR-TRE-8190bb11-18
0.286
MAR-TRE-ebcc4ad6-9
0.284
MAR-TRE-fffca54f-31
0.284
MAR-TRE-e86a56b5-83
0.284
ARI-TAT-5792557e-29
0.283
ARI-TAT-5792557e-28
0.282
MAR-TRE-e86a56b5-71
0.282
MAR-TRE-92684b97-5
0.281
MAR-TRE-e86a56b5-73
0.280
MAR-TRE-be9ff7d2-61
0.279
MAR-TRE-8190bb11-68
0.278
MAR-TRE-a9136c7b-49
0.276
MAR-TRE-fffca54f-71
0.275
MAR-TRE-e86a56b5-49
0.274
CHR-SOS-7098f804-9
0.273
MAK-UNK-c44f4be0-4
0.272
NIC-BIO-7d400292-3
0.272
MAK-UNK-c44f4be0-14
0.271
MAR-TRE-e86a56b5-90
0.270
MAR-TRE-be9ff7d2-10
0.269
MAR-TRE-92684b97-97
0.269
MAR-TRE-4f39ef4a-24
0.267
LYN-UNI-7bb260d6-12
0.266
AAR-POS-0daf6b7e-5
0.266
MAR-TRE-8190bb11-11
0.265
ALP-POS-8df010a9-1
0.265
MAR-TRE-9d18ae8c-99
0.264
FAR-UNI-a04c1544-1
0.264
MAR-TRE-4f781e27-93
0.264
MAR-TRE-4f39ef4a-25
0.264
MAR-TRE-66ac689e-41
0.262
MAR-TRE-92684b97-92
0.261
MAR-TRE-e86a56b5-88
0.260
YOI-UNK-15f562e8-1
0.260
MAR-TRE-e82e6c98-100
0.259
NIC-BIO-7d400292-2
0.258
MAR-TRE-92684b97-32
0.258
MAK-UNK-c44f4be0-1
0.257
BRU-UNI-248b30bc-41
0.257
AAR-UNI-c25c2f1e-82
0.256
AAR-UNI-c25c2f1e-65
0.256
MAR-TRE-4f39ef4a-13
0.256
MAR-TRE-6a44bbf2-99
0.256
MAR-TRE-e86a56b5-97
0.256
MAR-TRE-4f781e27-69
0.255
MAR-TRE-be9ff7d2-9
0.255
MAR-TRE-4f781e27-9
0.255
NIM-UNI-ed9fc491-3
0.255
MAR-TRE-fffca54f-79
0.254
MAR-TRE-e86a56b5-56
0.253
MAR-TRE-85681e92-70
0.253
MAR-TRE-e86a56b5-91
0.253
MAR-TRE-8190bb11-48
0.253
MAR-TRE-be9ff7d2-84
0.253
MAR-TRE-799db12b-79
0.253
MAR-TRE-8190bb11-49
0.253