Molecular Properties | |
SMILES: | O=C(Cc1cncnc1)NCCOC1CNC1 |
MW: | 236.13 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 76.14 |
cLogP: | -0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-POS-0daf6b7e-27
MAK-UNK-748f8b7a-5
0.444
MAK-UNK-748f8b7a-15
0.403
MAK-UNK-748f8b7a-7
0.400
MAK-UNK-748f8b7a-14
0.400
JOH-IMS-4b4cc7e6-3
0.392
MAK-UNK-748f8b7a-16
0.381
KEN-ILL-f8fa3277-3
0.369
MAK-UNK-748f8b7a-13
0.360
MAK-UNK-748f8b7a-1
0.359
MAK-UNK-748f8b7a-10
0.357
MAK-UNK-748f8b7a-3
0.353
MAK-UNK-748f8b7a-8
0.348
MAK-UNK-748f8b7a-12
0.338
SAD-SAT-24589cd1-4
0.333
MAK-UNK-748f8b7a-11
0.323
SAD-SAT-24589cd1-2
0.320
MAK-UNK-748f8b7a-2
0.319
RAL-MED-2de63afb-3
0.312
BAR-COM-4e090d3a-39
0.312
RAL-MED-2de63afb-14
0.309
RAL-MED-2de63afb-13
0.309
MAR-TRE-4f781e27-85
0.306
RAL-MED-2de63afb-2
0.305
RAL-MED-2de63afb-7
0.304
RAL-MED-2de63afb-12
0.303
MAR-TRE-4f781e27-12
0.301
TRY-UNI-bbd40bb4-1
0.301
RAL-MED-2de63afb-8
0.293
ADA-UCB-b1b30a00-3
0.286
SAD-SAT-24589cd1-7
0.280
MAR-TRE-c317dd82-6
0.275
JOH-IMS-4b4cc7e6-2
0.275
BAR-COM-4e090d3a-11
0.272
MAR-TRE-4f781e27-22
0.269
MAR-TRE-be9ff7d2-19
0.269
MAK-UNK-f2409524-3
0.268
MAR-TRE-e82e6c98-78
0.265
MAR-TRE-e82e6c98-94
0.264
JAN-GHE-5a013bed-9
0.264
MAR-TRE-e82e6c98-79
0.263
RAL-MED-2de63afb-5
0.259
MAR-TRE-85681e92-61
0.258
MAR-TRE-e82e6c98-22
0.256
JUL-TUD-06b2044f-117
0.256
MAR-TRE-92684b97-52
0.253
MAR-TRE-92684b97-83
0.253
MAR-TRE-66ac689e-67
0.253
JOH-IMS-4b4cc7e6-1
0.250
MAR-TRE-8190bb11-43
0.250
MAR-TRE-e82e6c98-57
0.250
MAR-TRE-c317dd82-99
0.250
MAR-TRE-92684b97-78
0.250
MAR-TRE-8190bb11-39
0.247
MAR-TRE-799db12b-72
0.247
MAR-TRE-c317dd82-33
0.247
MAR-TRE-c317dd82-34
0.247
MAR-TRE-c317dd82-57
0.247
MAR-TRE-e82e6c98-56
0.247
MAR-TRE-8190bb11-96
0.247
MAR-TRE-be9ff7d2-74
0.247
MAR-TRE-92684b97-57
0.247
MAR-TRE-85681e92-58
0.247
MAR-TRE-e82e6c98-17
0.244
MAR-TRE-9d18ae8c-23
0.244
MAR-TRE-9d18ae8c-35
0.244
MAR-TRE-4f781e27-19
0.244
MAR-TRE-4f781e27-49
0.243
MAR-TRE-799db12b-13
0.241
BAR-COM-4e090d3a-67
0.241
MAR-TRE-8190bb11-87
0.241
MAR-TRE-8190bb11-7
0.241
MAR-TRE-799db12b-84
0.241
MAR-TRE-4f781e27-64
0.241
MAR-TRE-92684b97-38
0.241
MAR-TRE-e82e6c98-65
0.241
MAR-TRE-c317dd82-18
0.241
MAR-TRE-799db12b-74
0.241
MAR-TRE-9d18ae8c-76
0.240
MAR-TRE-be9ff7d2-36
0.240
MAR-TRE-be9ff7d2-94
0.240
MAK-UNK-f2409524-9
0.240
MAR-TRE-be9ff7d2-67
0.239
MAR-TRE-66ac689e-40
0.238
MAR-TRE-4f781e27-65
0.238
MAR-TRE-799db12b-52
0.238
MAR-TRE-e82e6c98-2
0.238
MAR-TRE-c317dd82-54
0.237
MAR-TRE-c317dd82-35
0.237
MAR-TRE-c317dd82-91
0.237
MAR-TRE-e82e6c98-77
0.237
MAR-TRE-4f781e27-21
0.237
MAR-TRE-4f781e27-41
0.237
MAR-TRE-e82e6c98-47
0.237
MAR-TRE-e82e6c98-54
0.237
ED_-GRI-5b13fbe2-51
0.237
MAR-TRE-e82e6c98-96
0.236
MAR-TRE-e82e6c98-49
0.236
MAR-TRE-c317dd82-61
0.235
MAR-TRE-85681e92-22
0.235
MAR-TRE-4f781e27-34
0.235