Molecular Properties | |
SMILES: | NC(=O)NC(NC(=O)Nc1cncnc1)C(=O)O |
MW: | 254.08 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 5 |
Rotatable Bonds: | 4 |
TPSA: | 159.33 |
cLogP: | -1.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
acyclic N-C-N
Long aliphatic chain
geminal_amines
MAR-TRE-85681e92-73
0.426
MAR-TRE-85681e92-88
0.411
MAR-TRE-85681e92-57
0.389
MAR-TRE-85681e92-92
0.370
MAR-TRE-85681e92-52
0.365
MAR-TRE-85681e92-22
0.362
MAR-TRE-85681e92-83
0.360
MAR-TRE-85681e92-74
0.344
BEN-DND-03406596-11
0.339
BEN-DND-03406596-4
0.339
BEN-DND-03406596-12
0.339
BEN-DND-93268d01-1
0.339
MAR-TRE-85681e92-49
0.339
MAR-TRE-85681e92-39
0.323
MAR-TRE-85681e92-85
0.312
MAR-TRE-85681e92-40
0.310
MAR-TRE-85681e92-78
0.310
MAR-TRE-85681e92-42
0.310
MAR-TRE-85681e92-34
0.309
MAR-TRE-85681e92-70
0.308
MAR-TRE-85681e92-46
0.304
MAR-TRE-85681e92-93
0.304
JAN-GHE-5a013bed-9
0.303
MAR-TRE-85681e92-76
0.303
MAR-TRE-85681e92-91
0.299
JOH-IMS-4b4cc7e6-3
0.294
MAR-TRE-c317dd82-41
0.292
MAR-TRE-92684b97-50
0.290
MAR-TRE-85681e92-29
0.290
MAR-TRE-85681e92-65
0.283
MAR-TRE-92684b97-51
0.282
SID-ELM-2583a2cd-5
0.281
MAR-TRE-8190bb11-91
0.279
MAR-TRE-85681e92-51
0.279
MAR-TRE-85681e92-61
0.279
MAR-TRE-799db12b-23
0.278
MAR-TRE-85681e92-37
0.275
MAR-TRE-85681e92-38
0.275
MAR-TRE-c317dd82-21
0.273
MAR-TRE-92684b97-27
0.271
MAR-TRE-92684b97-56
0.271
MAR-TRE-85681e92-56
0.270
MAR-TRE-c317dd82-48
0.269
MAR-TRE-4f781e27-39
0.268
MAR-TRE-8190bb11-48
0.268
MAR-TRE-66ac689e-81
0.267
MAR-TRE-a9136c7b-66
0.264
MAR-TRE-9d18ae8c-64
0.264
MAR-TRE-9d18ae8c-8
0.263
MAR-TRE-85681e92-45
0.263
MAR-TRE-e82e6c98-70
0.261
MAR-TRE-799db12b-95
0.261
MAR-TRE-4f781e27-24
0.260
MAR-TRE-799db12b-61
0.260
MAR-TRE-8190bb11-54
0.260
MAR-TRE-4f781e27-51
0.260
MAR-TRE-85681e92-60
0.259
AAR-POS-d2a4d1df-11
0.258
MAR-TRE-85681e92-97
0.258
MAR-TRE-e82e6c98-30
0.257
DAR-DIA-23aa0b97-13
0.257
MAR-TRE-9d18ae8c-59
0.257
MAR-TRE-e82e6c98-27
0.257
MAR-TRE-a9136c7b-36
0.257
MAR-TRE-c317dd82-95
0.256
SEA-TRI-f62e8c25-1
0.256
MAR-TRE-e82e6c98-77
0.254
MAR-TRE-8190bb11-71
0.254
MAR-TRE-66ac689e-72
0.253
MAR-TRE-92684b97-86
0.253
SEA-TRI-04ff6e57-1
0.253
MAR-TRE-85681e92-20
0.253
MAR-TRE-c317dd82-68
0.250
MAR-TRE-e82e6c98-72
0.250
MAR-TRE-be9ff7d2-84
0.250
DAR-DIA-23aa0b97-9
0.250
MAR-TRE-8190bb11-10
0.250
MAR-TRE-92684b97-35
0.250
MAR-TRE-799db12b-32
0.250
MAR-TRE-8190bb11-59
0.250
MAR-TRE-c317dd82-97
0.250
MAR-TRE-92684b97-17
0.250
MAR-TRE-8190bb11-28
0.250
MAR-TRE-9d18ae8c-52
0.247
MAR-TRE-be9ff7d2-86
0.247
MAR-TRE-be9ff7d2-93
0.247
ANT-DIA-045cfdc4-3
0.247
MAR-TRE-8190bb11-11
0.247
MAR-TRE-92684b97-41
0.247
MAR-TRE-92684b97-80
0.247
MAR-TRE-9d18ae8c-21
0.247
MAR-TRE-be9ff7d2-47
0.246
MAK-UNK-d1e89583-4
0.246
HAN-NEW-5f56c3bc-1
0.246
DAN-PUR-19f24f0c-1
0.246
AAR-POS-d2a4d1df-18
0.244
MAR-TRE-9d18ae8c-9
0.244
MAR-TRE-85681e92-64
0.244
MAR-TRE-66ac689e-94
0.244
MAR-TRE-a9136c7b-49
0.244