Molecular Properties | |
SMILES: | N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O |
MW: | 432.87 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 83.55 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3219127934 |
MolPort: | MolPort-001-766-709 |
iodine
Filter9_metal
aryl iodide
amino acid
unacceptable atoms
MAR-TRE-e86a56b5-79
0.659
MAR-TRE-e86a56b5-88
0.556
MAR-TRE-e86a56b5-49
0.543
MAR-TRE-e86a56b5-9
0.453
MAR-TRE-4f39ef4a-32
0.421
MAR-TRE-e86a56b5-40
0.412
MAR-TRE-e86a56b5-71
0.408
MAR-TRE-4f781e27-24
0.400
MAR-TRE-e86a56b5-52
0.396
MAR-TRE-87acfbcc-59
0.387
MAR-TRE-e86a56b5-51
0.375
MAR-TRE-e86a56b5-24
0.365
MAR-TRE-e86a56b5-85
0.360
MAR-TRE-e86a56b5-70
0.346
MAR-TRE-e86a56b5-92
0.339
MAR-TRE-e86a56b5-18
0.333
MAR-UCB-195bc32d-4
0.317
MAR-TRE-e86a56b5-98
0.316
MAR-TRE-e86a56b5-99
0.309
MAR-TRE-e86a56b5-90
0.309
MAR-TRE-e86a56b5-81
0.305
MAR-TRE-4f39ef4a-30
0.303
HUN-WAB-acb6a578-1
0.297
MAR-TRE-e86a56b5-63
0.278
MAR-TRE-fffca54f-96
0.278
MAR-TRE-e86a56b5-47
0.276
MAR-TRE-e86a56b5-32
0.271
MAR-TRE-85681e92-78
0.269
MAR-TRE-8a25d817-41
0.268
MAR-TRE-e86a56b5-62
0.263
MAR-TRE-e86a56b5-31
0.262
MAR-TRE-e86a56b5-34
0.258
MAR-UCB-195bc32d-13
0.250
MAR-TRE-e86a56b5-58
0.250
MAR-TRE-4f39ef4a-35
0.246
MAR-TRE-4f39ef4a-40
0.246
MAR-TRE-fffca54f-71
0.245
AAR-POS-d2a4d1df-16
0.242
MAK-UNK-f983951f-22
0.241
MAR-TRE-e86a56b5-45
0.241
MAR-TRE-e86a56b5-77
0.239
MAR-TRE-a78003aa-20
0.238
RHY-UNK-4b26e9be-1
0.235
MAR-TRE-4f39ef4a-88
0.234
MAR-TRE-36bf7dba-23
0.234
MAR-TRE-e86a56b5-21
0.234
ANT-DIA-b7f58f21-4
0.231
MAR-TRE-e86a56b5-39
0.230
JOH-MSK-a63bdd1d-4
0.227
MAR-UCB-195bc32d-16
0.227
MAR-TRE-d3c2bf0e-22
0.226
MAR-TRE-e86a56b5-11
0.226
MAR-TRE-4f39ef4a-24
0.225
MAR-TRE-4f39ef4a-44
0.224
MAR-TRE-36bf7dba-34
0.224
MAR-TRE-36bf7dba-1
0.224
MAR-TRE-36bf7dba-90
0.222
MAR-TRE-36bf7dba-22
0.221
MAR-TRE-e86a56b5-55
0.221
MAR-TRE-e86a56b5-56
0.220
MAR-TRE-e86a56b5-64
0.220
NIC-BIO-7d400292-1
0.219
MAR-TRE-e86a56b5-20
0.218
MAR-TRE-fffca54f-61
0.218
AAR-POS-0daf6b7e-45
0.218
MAR-TRE-4f39ef4a-21
0.217
MAR-TRE-e86a56b5-6
0.215
MAR-TRE-e86a56b5-15
0.215
MAR-TRE-4f39ef4a-10
0.214
MAR-TRE-d3c2bf0e-28
0.214
MAR-TRE-d3c2bf0e-52
0.214
MAK-UNK-f983951f-11
0.214
HUN-WAB-7263dfed-1
0.214
MAR-TRE-aca67d11-100
0.213
WIL-LEE-23e8b574-1
0.213
MAR-TRE-e86a56b5-37
0.212
MAR-TRE-4f39ef4a-52
0.211
MAR-TRE-4f39ef4a-13
0.211
MAR-TRE-e86a56b5-50
0.209
MAR-TRE-e86a56b5-54
0.209
NAU-LAT-ec9c7557-1
0.208
MAR-TRE-4f39ef4a-25
0.208
MAR-TRE-87acfbcc-79
0.207
MAR-TRE-aca67d11-74
0.206
MAR-TRE-85681e92-85
0.206
VOL-CHA-d666e5ae-5
0.206
MAR-TRE-36bf7dba-67
0.206
MAR-TRE-e86a56b5-46
0.206
SIM-DEM-5935bd74-4
0.206
DRR-SHR-2ae5ab8c-5
0.205
DRR-SHR-2ae5ab8c-4
0.205
MAR-TRE-ebcc4ad6-38
0.204
MAR-TRE-d3c2bf0e-40
0.204
MAR-TRE-36bf7dba-48
0.203
MAR-TRE-85681e92-70
0.203
MAR-TRE-4f39ef4a-67
0.203
MAR-TRE-4f39ef4a-68
0.203
SAN-PRS-3c4a6997-3
0.203
MAR-TRE-423310b6-41
0.203
MAR-TRE-36bf7dba-71
0.203