Molecular Properties | |
SMILES: | CC(=O)c1cc(C[C@H](N)C(=O)O)ccc1O |
MW: | 223.08 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 100.62 |
cLogP: | 0.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | FCH3587401 |
Mcule: | MCULE-8781603070 |
amino acid
Ketone
MAR-TRE-e86a56b5-32
0.688
MAR-TRE-e86a56b5-71
0.562
MAR-TRE-e86a56b5-88
0.551
MAR-TRE-e86a56b5-52
0.538
MAR-TRE-e86a56b5-86
0.412
MAR-TRE-e86a56b5-92
0.393
MAR-TRE-e86a56b5-24
0.375
MAR-TRE-fffca54f-71
0.358
MAR-TRE-e86a56b5-98
0.350
MAR-TRE-e86a56b5-51
0.333
MAR-TRE-e86a56b5-70
0.333
MAR-TRE-e86a56b5-99
0.322
MAR-TRE-e86a56b5-85
0.321
MAR-TRE-e86a56b5-81
0.317
MAR-TRE-4f39ef4a-24
0.310
MAR-TRE-fffca54f-79
0.308
MAR-TRE-4f39ef4a-21
0.304
MAR-TRE-e86a56b5-18
0.296
MAR-TRE-4f39ef4a-13
0.296
MAR-TRE-4f39ef4a-30
0.296
MAR-TRE-e86a56b5-41
0.288
NIC-BIO-7d400292-1
0.284
MAR-TRE-85681e92-42
0.282
MAR-TRE-e86a56b5-79
0.276
MAR-TRE-85681e92-46
0.275
MAR-TRE-e86a56b5-63
0.271
MAR-TRE-fffca54f-96
0.271
MAR-TRE-e86a56b5-47
0.270
MAR-UCB-195bc32d-4
0.269
RHY-UNK-4b26e9be-1
0.268
MAR-TRE-8190bb11-97
0.268
MAR-TRE-85681e92-40
0.264
MAR-TRE-85681e92-78
0.264
NIC-BIO-7d400292-2
0.263
NIC-BIO-7d400292-3
0.263
MAR-TRE-8a25d817-41
0.262
MAR-TRE-e86a56b5-11
0.262
MAR-TRE-e86a56b5-20
0.259
MAR-TRE-fffca54f-61
0.259
MAR-TRE-e86a56b5-45
0.258
MAR-TRE-e86a56b5-62
0.258
MAK-UNK-f983951f-22
0.258
MAR-TRE-e86a56b5-31
0.258
MAR-TRE-66ac689e-87
0.256
HUN-WAB-acb6a578-1
0.256
MAR-TRE-e86a56b5-35
0.253
MAR-TRE-8190bb11-68
0.253
MAR-TRE-e86a56b5-21
0.250
MAR-TRE-8190bb11-76
0.250
MAR-TRE-e86a56b5-58
0.246
MAR-TRE-4f39ef4a-40
0.243
MAR-TRE-e86a56b5-54
0.243
MAR-TRE-e86a56b5-49
0.242
MAR-TRE-4f39ef4a-44
0.239
NIC-BIO-7d400292-4
0.238
MAR-TRE-e86a56b5-64
0.238
MAR-TRE-e86a56b5-90
0.238
AAR-POS-0daf6b7e-45
0.237
MAR-TRE-e86a56b5-77
0.237
MAK-UNK-c44f4be0-1
0.234
MAR-TRE-e86a56b5-15
0.232
MAR-TRE-e86a56b5-6
0.232
DAV-CRI-3edb475e-1
0.231
MAR-TRE-4f39ef4a-10
0.230
MAR-UCB-195bc32d-13
0.229
MAR-TRE-e86a56b5-37
0.229
ANT-DIA-b7f58f21-4
0.228
MAR-TRE-e86a56b5-39
0.227
MAR-TRE-4f39ef4a-63
0.227
JOH-IMS-54aa76a2-4
0.226
MAR-TRE-4f39ef4a-35
0.225
MAR-TRE-e86a56b5-50
0.225
LOR-NOR-c954e7ad-4
0.224
AAR-POS-d2a4d1df-16
0.222
KEI-TRE-bda2794f-1
0.222
SAN-PRS-3c4a6997-5
0.222
SIM-DEM-5935bd74-4
0.222
MAR-TRE-e86a56b5-55
0.219
MAR-TRE-4f39ef4a-68
0.219
MAR-TRE-4f39ef4a-67
0.219
MAR-TRE-e86a56b5-56
0.219
NIC-BIO-a68395b7-4
0.218
MAR-TRE-e86a56b5-69
0.217
MAR-TRE-a78003aa-20
0.217
MAR-TRE-6c5ef77a-48
0.217
MAR-TRE-2fd8122f-51
0.217
FAB-ASS-ec2fd593-1
0.216
RHY-UNK-4b26e9be-2
0.216
MAR-TRE-e86a56b5-83
0.215
MAR-TRE-f6f5f473-80
0.215
MAR-TRE-e86a56b5-67
0.214
MAR-TRE-4f39ef4a-88
0.214
CHA-KIN-bfe9b535-9
0.214
HUN-WAB-7263dfed-1
0.213
JUS-UNI-57125a42-1
0.212
MAR-TRE-e86a56b5-66
0.211
JUA-UNI-b93289a4-6
0.211
MAR-TRE-4f39ef4a-23
0.211
SAL-INS-a5f8a8b9-1
0.211
MAR-TRE-4f39ef4a-52
0.211