Molecular Properties | |
SMILES: | NC(=O)NCC(Nc1cncnc1)C(=O)O |
MW: | 225.09 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 130.23 |
cLogP: | -0.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-85681e92-73
0.644
MAR-TRE-85681e92-57
0.600
MAR-TRE-85681e92-74
0.509
MAR-TRE-85681e92-70
0.491
MAR-TRE-85681e92-91
0.474
MAR-TRE-85681e92-29
0.458
MAR-TRE-85681e92-42
0.452
MAR-TRE-85681e92-46
0.450
MAR-TRE-85681e92-92
0.449
MAR-TRE-423310b6-16
0.448
MAR-TRE-85681e92-49
0.429
MAR-TRE-85681e92-78
0.429
MAR-TRE-85681e92-40
0.429
MAR-TRE-85681e92-51
0.424
MAR-TRE-85681e92-83
0.413
MAR-TRE-85681e92-71
0.411
MAR-TRE-85681e92-39
0.411
MAR-TRE-85681e92-45
0.400
MAR-TRE-85681e92-38
0.394
MAR-TRE-85681e92-60
0.394
MAR-TRE-85681e92-20
0.384
MAR-TRE-85681e92-64
0.375
MAR-TRE-85681e92-85
0.373
MAR-TRE-85681e92-93
0.373
MAR-TRE-85681e92-37
0.349
MAR-TRE-85681e92-34
0.344
MAR-TRE-85681e92-61
0.339
MAR-TRE-8190bb11-48
0.338
MAR-TRE-4f781e27-39
0.318
JOH-IMS-4b4cc7e6-3
0.312
BEN-DND-03406596-4
0.311
BEN-DND-03406596-11
0.311
BEN-DND-03406596-12
0.311
BEN-DND-93268d01-1
0.311
MAR-TRE-85681e92-22
0.310
MAR-TRE-e82e6c98-20
0.309
MAR-TRE-85681e92-52
0.297
MAR-TRE-be9ff7d2-84
0.296
MAR-TRE-66ac689e-81
0.296
MAR-TRE-92684b97-41
0.294
MAR-TRE-85681e92-97
0.293
MAR-TRE-66ac689e-48
0.292
MAR-TRE-e82e6c98-79
0.292
MAR-TRE-be9ff7d2-93
0.292
MAR-TRE-4f781e27-24
0.290
MAR-TRE-e82e6c98-71
0.290
MAR-TRE-87acfbcc-12
0.288
MAK-UNK-f2409524-9
0.288
MAR-TRE-e82e6c98-100
0.286
MAR-TRE-4f781e27-56
0.284
MAR-TRE-e82e6c98-77
0.284
MAR-TRE-423310b6-42
0.283
MAR-TRE-c317dd82-48
0.281
MAR-TRE-423310b6-9
0.281
MAR-TRE-e82e6c98-72
0.279
MAR-TRE-be9ff7d2-49
0.279
MAR-TRE-423310b6-72
0.279
MAR-TRE-66ac689e-87
0.276
MAR-TRE-85681e92-65
0.276
MAR-TRE-92684b97-51
0.275
MAR-TRE-85681e92-81
0.275
MAR-TRE-e82e6c98-56
0.274
MAR-TRE-be9ff7d2-61
0.274
MAR-TRE-85681e92-77
0.273
MAR-TRE-799db12b-95
0.273
MAR-TRE-92684b97-75
0.271
MAR-TRE-423310b6-39
0.269
MAR-TRE-87acfbcc-53
0.268
MAR-TRE-92684b97-72
0.268
MAR-TRE-c317dd82-95
0.266
MAR-TRE-8190bb11-18
0.266
MAR-TRE-c317dd82-41
0.266
MAR-TRE-c317dd82-21
0.266
MAR-TRE-8190bb11-26
0.263
MAR-TRE-be9ff7d2-10
0.263
MAR-TRE-8190bb11-35
0.263
MAR-TRE-92684b97-97
0.263
MAR-TRE-87acfbcc-41
0.262
MAR-TRE-e82e6c98-80
0.261
MAR-TRE-8190bb11-28
0.261
MAR-TRE-799db12b-32
0.260
MAR-TRE-66ac689e-98
0.260
MAR-TRE-be9ff7d2-21
0.260
MAR-TRE-92684b97-5
0.260
SUG-SAT-424020ef-1
0.259
MAR-TRE-4f781e27-94
0.259
MAR-TRE-fd17a9b8-75
0.258
MAR-TRE-87acfbcc-38
0.258
MAR-TRE-85681e92-76
0.258
MAR-TRE-e82e6c98-94
0.258
JAN-GHE-5a013bed-9
0.258
MAR-TRE-e82e6c98-76
0.257
MAR-TRE-8190bb11-11
0.257
MAR-TRE-4f781e27-84
0.257
MAR-TRE-e82e6c98-34
0.257
MAR-TRE-4f781e27-36
0.257
MAR-TRE-9d18ae8c-8
0.257
MAR-TRE-8190bb11-17
0.256
MAR-TRE-4f781e27-93
0.256
MAR-TRE-85681e92-35
0.254