Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O |
MW: | 474.88 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 86.63 |
cLogP: | 1.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3234877513 |
Mcule: | MCULE-3601317285 |
MolPort: | MolPort-003-912-400 |
iodine
Filter9_metal
aryl iodide
unacceptable atoms
MAR-TRE-e86a56b5-9
0.608
MAR-TRE-e86a56b5-90
0.604
MAR-TRE-4f781e27-24
0.561
MAR-TRE-e86a56b5-86
0.543
MAR-TRE-fffca54f-96
0.542
MAR-TRE-e86a56b5-63
0.542
MAR-TRE-e86a56b5-79
0.490
MAR-TRE-87acfbcc-59
0.468
MAR-TRE-e86a56b5-64
0.453
MAR-TRE-e86a56b5-54
0.410
MAR-TRE-4f39ef4a-32
0.410
MAR-TRE-e86a56b5-58
0.364
MAR-TRE-e86a56b5-45
0.351
MAR-TRE-e86a56b5-62
0.351
MAR-TRE-e86a56b5-88
0.339
MAR-TRE-e86a56b5-47
0.339
MAR-TRE-e86a56b5-34
0.339
AAR-POS-d2a4d1df-16
0.338
MAR-TRE-85681e92-78
0.324
MAR-TRE-e86a56b5-31
0.323
NIC-BIO-a68395b7-3
0.309
NIC-BIO-7d400292-1
0.306
MAR-TRE-e86a56b5-83
0.300
MAR-TRE-e86a56b5-46
0.299
MAR-TRE-e86a56b5-67
0.292
TRY-UNI-9f475305-11
0.292
MAR-TRE-4f39ef4a-74
0.290
NIC-BIO-a68395b7-5
0.290
MAR-TRE-e86a56b5-19
0.290
MAR-TRE-4f39ef4a-25
0.289
MAR-TRE-4f39ef4a-69
0.288
MAR-TRE-e86a56b5-66
0.288
NIC-BIO-a68395b7-4
0.288
NIC-BIO-7d400292-2
0.284
MAK-UNK-f983951f-22
0.283
MAR-TRE-4f39ef4a-30
0.282
NIC-BIO-a68395b7-1
0.280
VOL-CHA-d666e5ae-2
0.278
NIC-BIO-a68395b7-2
0.278
TRY-UNI-9f475305-10
0.276
MAR-TRE-e86a56b5-41
0.274
VOL-CHA-d666e5ae-4
0.274
VOL-CHA-d666e5ae-3
0.274
MAR-TRE-e86a56b5-98
0.270
MAR-TRE-aca67d11-97
0.269
NIM-UNI-ed9fc491-2
0.266
MAK-UNK-a7992eb3-28
0.263
MAR-TRE-e86a56b5-56
0.262
MAR-TRE-85681e92-70
0.262
MAR-TRE-e86a56b5-81
0.262
VOL-CHA-d666e5ae-5
0.261
MAR-TRE-e82e6c98-72
0.261
MAR-TRE-66ac689e-87
0.260
MAR-TRE-e86a56b5-55
0.257
MAR-TRE-e86a56b5-35
0.257
NIC-BIO-7d400292-4
0.256
MAR-TRE-e86a56b5-94
0.254
NIM-UNI-ed9fc491-1
0.253
MAR-TRE-e82e6c98-100
0.250
NIC-BIO-7d400292-3
0.250
JUA-UNI-b93289a4-6
0.250
MAR-TRE-4f781e27-56
0.250
NIM-UNI-ed9fc491-3
0.247
SAL-INS-68b48d12-4
0.247
MAK-UNK-a7992eb3-27
0.247
MAR-TRE-e86a56b5-97
0.247
MAR-TRE-c317dd82-21
0.246
MAR-TRE-66ac689e-81
0.243
MAR-TRE-85681e92-46
0.243
MAR-TRE-e86a56b5-28
0.243
MAR-TRE-e86a56b5-40
0.242
AAR-POS-d2a4d1df-43
0.242
MAK-UNK-c44f4be0-7
0.241
SAL-INS-68b48d12-12
0.241
MAR-TRE-4f39ef4a-6
0.239
MAR-TRE-85681e92-74
0.239
MAR-TRE-e86a56b5-69
0.239
MAK-UNK-a7992eb3-29
0.238
MAR-TRE-fd17a9b8-75
0.238
MAR-TRE-d3c2bf0e-52
0.237
MAK-UNK-c44f4be0-1
0.237
SAL-INS-68b48d12-2
0.236
MAR-TRE-85681e92-91
0.235
MAR-TRE-e86a56b5-21
0.235
MAR-TRE-4f39ef4a-15
0.235
MAR-TRE-e86a56b5-52
0.234
SAL-INS-a5f8a8b9-2
0.233
MAR-TRE-e86a56b5-71
0.233
MAR-TRE-85681e92-42
0.233
MAR-TRE-85681e92-40
0.233
ANT-DIA-b7f58f21-4
0.232
MAR-TRE-8190bb11-23
0.232
NIM-UNI-ed9fc491-4
0.231
MAR-TRE-aca67d11-15
0.231
MAR-TRE-4f39ef4a-82
0.230
MAK-UNK-a7992eb3-11
0.229
MAR-TRE-4f39ef4a-40
0.229
JOH-MSK-a63bdd1d-4
0.229
MAR-UCB-195bc32d-16
0.229
DAV-CRI-25b90884-2
0.228