Molecular Properties | |
SMILES: | Nc1cc(CC(Nc2cncnc2)C(=O)O)ccc1O |
MW: | 274.11 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 121.36 |
cLogP: | 0.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
catechol
aniline
analine
MAR-TRE-85681e92-46
0.712
MAR-TRE-85681e92-40
0.677
MAR-TRE-85681e92-78
0.677
MAR-TRE-85681e92-74
0.617
MAR-TRE-85681e92-70
0.600
MAR-TRE-85681e92-91
0.581
MAR-TRE-85681e92-29
0.493
MAR-TRE-85681e92-51
0.485
MAR-TRE-85681e92-73
0.467
MAR-TRE-e86a56b5-71
0.467
MAR-TRE-85681e92-57
0.458
MAR-TRE-85681e92-88
0.452
MAR-TRE-66ac689e-87
0.423
MAR-TRE-85681e92-45
0.418
MAR-TRE-85681e92-64
0.412
MAR-TRE-85681e92-20
0.402
MAR-TRE-85681e92-38
0.395
MAR-TRE-85681e92-60
0.395
MAR-TRE-85681e92-34
0.370
MAR-TRE-85681e92-39
0.368
MAR-TRE-4f39ef4a-24
0.359
MAR-TRE-8190bb11-97
0.355
MAR-TRE-85681e92-92
0.349
MAR-TRE-4f781e27-56
0.346
MAR-TRE-66ac689e-81
0.342
MAR-TRE-85681e92-83
0.339
MAR-TRE-87acfbcc-51
0.338
MAR-TRE-e86a56b5-35
0.338
MAR-TRE-8190bb11-76
0.329
MAR-TRE-85681e92-49
0.324
MAR-TRE-8190bb11-23
0.322
MAR-TRE-e86a56b5-41
0.321
MAR-TRE-4f781e27-24
0.321
MAR-TRE-8190bb11-17
0.318
MAR-TRE-85681e92-71
0.310
MAR-TRE-e86a56b5-52
0.310
MAR-TRE-be9ff7d2-84
0.309
MAR-TRE-fffca54f-71
0.308
MAR-TRE-66ac689e-19
0.307
MAR-TRE-8190bb11-70
0.306
MAR-TRE-85681e92-37
0.303
MAR-TRE-8190bb11-68
0.302
MAR-TRE-e86a56b5-45
0.300
MAR-TRE-e86a56b5-62
0.300
MAR-TRE-92684b97-98
0.299
MAR-TRE-8190bb11-18
0.295
MAR-TRE-4f781e27-39
0.295
MAR-TRE-9d18ae8c-19
0.292
MAR-TRE-92684b97-41
0.291
MAR-TRE-e86a56b5-88
0.290
MAR-TRE-e82e6c98-20
0.287
MAR-TRE-66ac689e-41
0.287
MAR-TRE-92684b97-47
0.286
MAR-TRE-92684b97-92
0.284
MAR-TRE-85681e92-85
0.284
MAR-TRE-e86a56b5-40
0.282
MAR-TRE-e86a56b5-64
0.282
MAR-TRE-87acfbcc-59
0.280
MAR-TRE-85681e92-56
0.280
MAR-TRE-8190bb11-48
0.278
MAR-TRE-9d18ae8c-24
0.278
MAR-TRE-e86a56b5-63
0.275
MAR-TRE-fffca54f-96
0.275
MAR-TRE-92684b97-51
0.275
MAR-TRE-e86a56b5-47
0.274
MAR-TRE-66ac689e-48
0.274
MAR-TRE-4f781e27-93
0.273
MAR-TRE-85681e92-93
0.273
MAR-TRE-66ac689e-97
0.271
MAR-TRE-e86a56b5-32
0.270
MAR-TRE-e86a56b5-66
0.269
MAR-TRE-9d18ae8c-20
0.269
MAR-TRE-9d18ae8c-86
0.267
MAR-TRE-8190bb11-71
0.266
MAR-TRE-92684b97-86
0.265
MAR-TRE-be9ff7d2-10
0.264
MAR-TRE-8190bb11-35
0.264
MAR-TRE-e86a56b5-31
0.263
MAR-TRE-e86a56b5-46
0.263
MAR-TRE-92684b97-85
0.262
MAR-TRE-85681e92-47
0.260
JAN-GHE-5a013bed-9
0.260
MAR-TRE-66ac689e-84
0.259
MAR-TRE-66ac689e-71
0.259
MAR-TRE-be9ff7d2-61
0.259
MAR-TRE-be9ff7d2-93
0.259
MAK-UNK-748f8b7a-16
0.257
MAR-TRE-85681e92-84
0.256
MAR-TRE-66ac689e-18
0.256
MAR-TRE-92684b97-75
0.256
MAR-TRE-a9136c7b-49
0.256
MAR-TRE-85681e92-61
0.254
BEN-DND-03406596-4
0.253
BEN-DND-93268d01-1
0.253
BEN-DND-03406596-11
0.253
BEN-DND-03406596-12
0.253
MAR-TRE-e82e6c98-100
0.253
MAR-TRE-92684b97-72
0.253
MAR-TRE-66ac689e-92
0.253
MAR-TRE-92684b97-91
0.253