Molecular Properties | |
SMILES: | Nc1cc(C[C@H](N)C(=O)O)ccc1O |
MW: | 196.08 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 109.57 |
cLogP: | -0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6839040671 |
MolPort: | MolPort-001-793-070 |
aniline
catechol
aniline
amino acid
analine
MAR-TRE-e86a56b5-88
0.587
MAR-TRE-e86a56b5-52
0.571
MAR-TRE-e86a56b5-40
0.562
MAR-TRE-85681e92-42
0.467
MAR-TRE-4f39ef4a-24
0.452
MAR-TRE-e86a56b5-92
0.414
MAR-TRE-e86a56b5-86
0.408
MAR-TRE-fffca54f-71
0.380
MAR-TRE-e86a56b5-51
0.380
MAR-TRE-e86a56b5-24
0.370
MAR-TRE-e86a56b5-32
0.368
MAR-TRE-e86a56b5-70
0.352
MAR-TRE-e86a56b5-18
0.340
MAR-TRE-e86a56b5-85
0.340
MAR-TRE-e86a56b5-99
0.339
MAR-TRE-e86a56b5-98
0.322
MAR-TRE-e86a56b5-81
0.311
MAR-TRE-fffca54f-79
0.300
MAR-TRE-85681e92-46
0.288
MAR-TRE-e86a56b5-41
0.282
MAR-UCB-195bc32d-4
0.281
MAR-TRE-4f39ef4a-21
0.279
NIC-BIO-7d400292-1
0.278
MAR-TRE-85681e92-78
0.275
MAR-TRE-85681e92-40
0.275
HUN-WAB-acb6a578-1
0.275
MAR-TRE-e86a56b5-20
0.273
MAR-TRE-fffca54f-61
0.273
MAR-TRE-4f39ef4a-30
0.271
MAR-TRE-4f39ef4a-13
0.271
MAR-TRE-e86a56b5-45
0.271
MAR-TRE-e86a56b5-62
0.271
MAR-TRE-e86a56b5-79
0.268
MAR-TRE-66ac689e-87
0.267
MAR-TRE-e86a56b5-35
0.264
MAR-TRE-e86a56b5-63
0.263
MAR-TRE-fffca54f-96
0.263
MAR-TRE-e86a56b5-47
0.262
MAR-TRE-8190bb11-97
0.261
NIC-BIO-7d400292-2
0.257
NIC-BIO-7d400292-3
0.256
MAR-TRE-8a25d817-41
0.254
MAR-TRE-e86a56b5-31
0.250
MAK-UNK-f983951f-22
0.250
MAR-TRE-e86a56b5-64
0.250
MAR-TRE-e86a56b5-77
0.247
HUN-WAB-7263dfed-1
0.246
MAR-TRE-8190bb11-76
0.244
RHY-UNK-4b26e9be-1
0.243
MAR-UCB-195bc32d-13
0.239
MAR-TRE-e86a56b5-39
0.238
MAR-TRE-e86a56b5-58
0.237
MAR-TRE-e86a56b5-54
0.235
KEI-TRE-bda2794f-1
0.235
MAR-TRE-e86a56b5-11
0.234
LAU-OPA-3eee07c1-2
0.234
MAR-TRE-e86a56b5-49
0.233
MAR-TRE-4f39ef4a-44
0.232
NIC-BIO-7d400292-4
0.232
MAR-TRE-8190bb11-68
0.231
MAR-TRE-e86a56b5-90
0.230
MAR-TRE-e86a56b5-56
0.230
MAR-TRE-14ce9fd6-72
0.229
AAR-POS-0daf6b7e-45
0.228
MAR-TRE-85681e92-74
0.227
MAR-TRE-92684b97-47
0.227
MAR-TRE-e86a56b5-83
0.226
MAR-TRE-87acfbcc-51
0.225
MAR-TRE-2fd8122f-51
0.225
MAR-TRE-e86a56b5-15
0.224
MAR-TRE-e86a56b5-21
0.224
MAR-TRE-e86a56b5-6
0.224
MAR-TRE-4f39ef4a-10
0.222
MAR-TRE-e86a56b5-66
0.221
MAR-TRE-e86a56b5-37
0.221
SAL-INS-a5f8a8b9-1
0.218
MAR-TRE-4f39ef4a-40
0.217
MAR-TRE-4f39ef4a-35
0.217
JOH-IMS-54aa76a2-4
0.217
MAK-UNK-c44f4be0-1
0.215
MAR-TRE-e86a56b5-46
0.214
MAR-TRE-36bf7dba-1
0.214
AAR-POS-d2a4d1df-16
0.214
MAR-UCB-195bc32d-43
0.213
MAR-TRE-85681e92-70
0.212
MAR-TRE-ebcc4ad6-35
0.212
MAR-TRE-e86a56b5-55
0.211
NIC-BIO-a68395b7-4
0.211
MAR-TRE-8190bb11-18
0.210
MAR-TRE-1c920f6f-59
0.210
MAR-TRE-e86a56b5-69
0.209
MAR-TRE-a78003aa-20
0.209
RHY-UNK-4b26e9be-2
0.208
MAR-TRE-423310b6-31
0.208
MAR-TRE-36bf7dba-78
0.208
MAR-TRE-f6f5f473-80
0.208
MAR-TRE-e86a56b5-25
0.208
MAR-TRE-8190bb11-23
0.207
SAL-INS-68b48d12-3
0.207
MAR-TRE-e86a56b5-67
0.206