Molecular Properties | |
SMILES: | CC(CO)(NC1CC1)C(=O)Cc1cncnc1 |
MW: | 235.13 |
Fraction sp3: | 0.58 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.11 |
cLogP: | 0.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
AAR-POS-0daf6b7e-27
MAK-UNK-748f8b7a-15
0.387
MAK-UNK-748f8b7a-14
0.383
MAK-UNK-748f8b7a-3
0.379
JOH-IMS-4b4cc7e6-3
0.373
MAK-UNK-748f8b7a-16
0.365
MAK-UNK-748f8b7a-7
0.364
JOH-IMS-4b4cc7e6-2
0.333
MAK-UNK-748f8b7a-10
0.324
MAK-UNK-748f8b7a-12
0.323
MAK-UNK-748f8b7a-4
0.319
MAK-UNK-748f8b7a-8
0.313
MAK-UNK-748f8b7a-13
0.312
RAL-MED-2de63afb-2
0.309
MAK-UNK-748f8b7a-11
0.308
MAK-UNK-748f8b7a-5
0.304
MAK-UNK-748f8b7a-1
0.303
SAD-SAT-24589cd1-4
0.299
RAL-MED-2de63afb-13
0.296
RAL-MED-2de63afb-7
0.291
SAD-SAT-24589cd1-2
0.289
BAR-COM-4e090d3a-39
0.284
RAL-MED-2de63afb-3
0.284
SAD-SAT-24589cd1-7
0.284
RAL-MED-2de63afb-8
0.280
RAL-MED-2de63afb-14
0.280
MAR-TRE-c317dd82-82
0.280
MAR-TRE-92684b97-33
0.277
BAR-COM-4e090d3a-11
0.275
TRY-UNI-bbd40bb4-1
0.274
RAL-MED-2de63afb-12
0.273
MAK-UNK-f2409524-3
0.272
MAR-TRE-c317dd82-88
0.268
MAR-TRE-9d18ae8c-32
0.265
MAR-TRE-c317dd82-6
0.263
MAK-UNK-ffc90da7-5
0.260
MAK-UNK-f2409524-9
0.260
MAR-TRE-e82e6c98-65
0.260
ADA-UCB-b1b30a00-3
0.259
BAR-COM-4e090d3a-67
0.259
AND-WAB-bfd3647f-2
0.258
MAR-TRE-92684b97-83
0.256
JOH-IMS-4b4cc7e6-1
0.255
MAR-TRE-e82e6c98-78
0.253
MAK-UNK-f2409524-10
0.250
MAR-TRE-e82e6c98-34
0.250
MIC-SGC-657978c3-1
0.247
MAR-TRE-8190bb11-85
0.247
MAR-TRE-c317dd82-18
0.244
MAR-TRE-be9ff7d2-42
0.244
MAR-TRE-e82e6c98-48
0.244
MAK-UNK-f2409524-13
0.244
MAR-TRE-be9ff7d2-69
0.244
MAR-TRE-85681e92-90
0.243
MAR-TRE-be9ff7d2-65
0.243
MAR-TRE-9d18ae8c-76
0.243
JOH-IMS-54aa76a2-6
0.243
MAR-TRE-85681e92-93
0.242
MAR-TRE-85681e92-77
0.242
MAR-TRE-799db12b-52
0.241
MAR-TRE-a9136c7b-89
0.241
MAR-TRE-be9ff7d2-19
0.241
MAR-TRE-4f781e27-22
0.241
MAR-TRE-4f781e27-41
0.240
MAR-TRE-92684b97-36
0.238
MAR-TRE-66ac689e-70
0.237
MAR-TRE-4f781e27-12
0.237
MAR-TRE-8190bb11-62
0.237
MAR-TRE-b77b7921-77
0.236
FRA-FAC-9ed5a63a-7
0.235
MAR-TRE-e82e6c98-56
0.235
JOH-IMS-7e73aedd-5
0.234
MAR-TRE-e82e6c98-55
0.234
MAR-TRE-be9ff7d2-41
0.234
MAR-TRE-c317dd82-67
0.233
MAR-TRE-85681e92-58
0.233
MAR-TRE-85681e92-76
0.233
MAR-TRE-92684b97-57
0.233
RAL-MED-2de63afb-5
0.233
MAR-TRE-799db12b-44
0.232
MAK-UNK-f2409524-7
0.231
MAR-TRE-c317dd82-46
0.231
MAR-TRE-a9136c7b-45
0.230
MAR-TRE-9d18ae8c-86
0.230
MAR-TRE-799db12b-51
0.230
MAR-TRE-4f781e27-49
0.230
MAR-TRE-8190bb11-24
0.230
MAR-TRE-c317dd82-98
0.230
MAR-TRE-66ac689e-75
0.230
MAR-TRE-4f781e27-78
0.230
MAR-TRE-be9ff7d2-12
0.229
MAR-TRE-85681e92-23
0.229
MAR-TRE-92684b97-100
0.229
MAR-TRE-be9ff7d2-35
0.229
MAR-TRE-799db12b-89
0.229
MAR-TRE-4f781e27-77
0.229
MAR-TRE-4f781e27-35
0.229
MAR-TRE-4f781e27-64
0.228
MAR-TRE-c317dd82-55
0.228
MAR-TRE-c317dd82-87
0.228
MAR-TRE-e82e6c98-81
0.228