Molecular Properties | |
SMILES: | Nc1ccc(CC(Nc2cncnc2)C(=O)O)cc1 |
MW: | 258.11 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 101.13 |
cLogP: | 1.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
aniline
analine
MAR-TRE-85681e92-70
0.712
MAR-TRE-85681e92-91
0.685
MAR-TRE-85681e92-42
0.617
MAR-TRE-85681e92-46
0.593
MAR-TRE-85681e92-40
0.565
MAR-TRE-85681e92-78
0.565
MAR-TRE-85681e92-73
0.528
MAR-TRE-87acfbcc-51
0.524
MAR-TRE-85681e92-57
0.519
MAR-TRE-85681e92-51
0.517
MAR-TRE-85681e92-88
0.509
MAR-TRE-85681e92-29
0.476
MAR-TRE-85681e92-45
0.419
MAR-TRE-85681e92-64
0.413
MAR-TRE-85681e92-38
0.413
MAR-TRE-85681e92-60
0.413
MAR-TRE-85681e92-20
0.403
MAR-TRE-85681e92-92
0.393
MAR-TRE-85681e92-39
0.387
MAR-TRE-85681e92-49
0.359
MAR-TRE-85681e92-83
0.358
MAR-TRE-66ac689e-87
0.351
MAR-TRE-85681e92-71
0.344
MAR-TRE-92684b97-51
0.338
MAR-TRE-66ac689e-81
0.338
MAR-TRE-4f781e27-24
0.333
MAR-TRE-e86a56b5-64
0.333
MAR-TRE-85681e92-37
0.333
MAR-TRE-85681e92-34
0.329
MAR-TRE-4f781e27-56
0.325
MAR-TRE-4f781e27-39
0.324
MAR-TRE-e86a56b5-47
0.323
MAR-TRE-be9ff7d2-84
0.320
MAR-TRE-92684b97-41
0.319
MAR-TRE-e82e6c98-20
0.315
MAR-TRE-85681e92-85
0.313
MAR-TRE-8190bb11-17
0.312
MAR-TRE-e86a56b5-62
0.312
MAR-TRE-e86a56b5-31
0.309
MAR-TRE-fffca54f-96
0.306
MAR-TRE-e86a56b5-63
0.306
MAR-TRE-4f39ef4a-44
0.306
MAR-TRE-8190bb11-48
0.306
MAR-TRE-85681e92-93
0.305
MAR-TRE-85681e92-61
0.302
MAR-TRE-8190bb11-23
0.301
MAR-TRE-66ac689e-19
0.301
MAR-TRE-9d18ae8c-24
0.301
MAR-TRE-66ac689e-48
0.299
MAR-TRE-92684b97-75
0.297
MAR-TRE-8190bb11-93
0.296
MAR-TRE-9d18ae8c-59
0.296
MAR-TRE-92684b97-72
0.293
MAR-TRE-92684b97-98
0.293
MAR-TRE-e86a56b5-45
0.292
MAR-TRE-4f781e27-4
0.291
MAR-TRE-8190bb11-6
0.291
MAR-TRE-9d18ae8c-20
0.291
MAR-TRE-e86a56b5-83
0.288
MAR-TRE-9d18ae8c-19
0.286
MAR-TRE-8190bb11-70
0.284
MAR-TRE-be9ff7d2-21
0.284
MAR-TRE-4f781e27-84
0.284
MAR-TRE-8190bb11-11
0.284
MAK-UNK-748f8b7a-16
0.284
MAR-TRE-be9ff7d2-93
0.282
MAR-TRE-4f781e27-36
0.282
MAR-TRE-e82e6c98-70
0.282
MAR-TRE-4f781e27-93
0.280
MAR-TRE-e82e6c98-71
0.280
MAR-TRE-66ac689e-18
0.280
MAR-TRE-e86a56b5-19
0.280
MAR-TRE-8190bb11-97
0.280
BEN-DND-03406596-11
0.279
BEN-DND-03406596-12
0.279
BEN-DND-93268d01-1
0.279
BEN-DND-03406596-4
0.279
MAR-TRE-e86a56b5-66
0.278
MAR-TRE-85681e92-22
0.277
MAR-TRE-e82e6c98-100
0.276
MAR-TRE-92684b97-56
0.274
MAR-TRE-8190bb11-18
0.274
MAR-TRE-92684b97-86
0.273
MAR-TRE-66ac689e-79
0.273
JOH-IMS-4b4cc7e6-3
0.273
MAR-TRE-be9ff7d2-9
0.271
MAR-TRE-66ac689e-57
0.270
MAR-TRE-e86a56b5-46
0.270
MAR-TRE-92684b97-85
0.269
MAR-TRE-92684b97-5
0.268
JAN-GHE-5a013bed-9
0.268
MAR-TRE-9d18ae8c-21
0.267
MAR-TRE-9d18ae8c-89
0.267
MAR-TRE-be9ff7d2-61
0.266
MAR-TRE-e82e6c98-79
0.266
MAR-TRE-799db12b-50
0.266
MAR-TRE-e86a56b5-35
0.266
MAR-TRE-8190bb11-90
0.265
MAR-TRE-e86a56b5-67
0.264
MAR-TRE-85681e92-84
0.263