Molecular Properties | |
SMILES: | NC(NC(=O)Cc1cncnc1)C1CC1 |
MW: | 206.12 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 80.9 |
cLogP: | -0.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
acyclic N-C-N
AAR-POS-0daf6b7e-27
MAK-UNK-748f8b7a-3
0.526
JOH-IMS-4b4cc7e6-3
0.467
MAK-UNK-748f8b7a-12
0.464
MAK-UNK-748f8b7a-14
0.463
MAK-UNK-748f8b7a-10
0.452
MAK-UNK-748f8b7a-15
0.439
MAK-UNK-748f8b7a-7
0.410
MAK-UNK-748f8b7a-4
0.381
MAK-UNK-748f8b7a-2
0.365
MAK-UNK-748f8b7a-5
0.365
RAL-MED-2de63afb-7
0.361
SAD-SAT-24589cd1-4
0.361
BAR-COM-4e090d3a-39
0.351
MAK-UNK-748f8b7a-11
0.350
MAK-UNK-748f8b7a-13
0.347
RAL-MED-2de63afb-14
0.347
RAL-MED-2de63afb-2
0.342
TRY-UNI-bbd40bb4-1
0.338
RAL-MED-2de63afb-13
0.329
RAL-MED-2de63afb-8
0.329
SAD-SAT-24589cd1-2
0.324
MAK-UNK-748f8b7a-1
0.323
MAR-TRE-9d18ae8c-86
0.321
RAL-MED-2de63afb-3
0.316
MAK-UNK-748f8b7a-8
0.312
RAL-MED-2de63afb-12
0.306
JOH-IMS-4b4cc7e6-2
0.304
JOH-IMS-4b4cc7e6-1
0.304
ADA-UCB-b1b30a00-3
0.304
MAR-TRE-e82e6c98-56
0.297
MAR-TRE-92684b97-52
0.290
BAR-COM-4e090d3a-11
0.289
BAR-COM-4e090d3a-67
0.287
MAR-TRE-85681e92-74
0.284
SAD-SAT-24589cd1-7
0.282
MAR-TRE-9d18ae8c-57
0.280
MAR-TRE-e82e6c98-34
0.280
MAR-TRE-e82e6c98-79
0.280
MAR-TRE-e82e6c98-77
0.271
MAR-TRE-85681e92-57
0.271
MAR-TRE-4f781e27-22
0.270
MAR-TRE-be9ff7d2-54
0.269
MAR-TRE-8190bb11-56
0.267
MAR-TRE-e82e6c98-10
0.266
MAR-TRE-c317dd82-40
0.263
MAR-TRE-c317dd82-33
0.263
MAR-TRE-85681e92-65
0.262
MAR-TRE-85681e92-73
0.262
MAR-TRE-85681e92-91
0.261
MAR-TRE-e82e6c98-71
0.260
RAL-MED-2de63afb-5
0.259
MAR-TRE-85681e92-93
0.259
MAR-TRE-85681e92-61
0.258
MAT-POS-590ac91e-7
0.257
MAR-TRE-be9ff7d2-94
0.257
MAR-TRE-85681e92-42
0.257
MAR-TRE-be9ff7d2-16
0.257
MAR-TRE-be9ff7d2-35
0.256
MAR-TRE-4f781e27-77
0.256
MAR-TRE-be9ff7d2-12
0.256
MAR-TRE-e82e6c98-52
0.256
MAR-TRE-c317dd82-4
0.256
MAR-TRE-8190bb11-7
0.256
MAR-TRE-85681e92-88
0.254
AND-WAB-bfd3647f-2
0.254
MAR-TRE-85681e92-85
0.254
MAR-TRE-4f781e27-85
0.254
MAR-TRE-c317dd82-96
0.254
MAR-TRE-be9ff7d2-48
0.254
MAR-TRE-92684b97-87
0.254
MAR-TRE-be9ff7d2-19
0.253
MAR-TRE-be9ff7d2-29
0.253
MAR-TRE-799db12b-52
0.253
MAR-TRE-c317dd82-37
0.253
MAK-UNK-f2409524-3
0.253
MAR-TRE-799db12b-65
0.253
MAR-TRE-85681e92-70
0.250
MAR-TRE-e82e6c98-40
0.250
MAR-TRE-a9136c7b-7
0.250
MAR-TRE-66ac689e-57
0.250
MAR-TRE-e82e6c98-57
0.250
MAR-TRE-4f781e27-12
0.250
MAR-TRE-92684b97-78
0.250
MAR-TRE-a9136c7b-29
0.247
MAR-TRE-a9136c7b-69
0.247
MAR-TRE-c317dd82-86
0.247
MAR-TRE-66ac689e-2
0.247
MAR-TRE-e82e6c98-35
0.247
MAR-TRE-8190bb11-11
0.247
MAK-UNK-f2409524-10
0.247
MAR-TRE-85681e92-58
0.246
JAN-GHE-5a013bed-9
0.246
MAR-TRE-799db12b-62
0.244
MAR-TRE-9d18ae8c-23
0.244
MAR-TRE-c317dd82-6
0.244
MAR-TRE-c317dd82-73
0.243
MAR-TRE-66ac689e-18
0.243
MAR-TRE-4f781e27-29
0.243
MAR-TRE-e82e6c98-70
0.243
MAR-TRE-8190bb11-91
0.243