Molecular Properties | |
SMILES: | O=C(Cc1cncnc1)CN1CCOCC1 |
MW: | 221.12 |
Fraction sp3: | 0.55 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 55.32 |
cLogP: | -0.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
AAR-POS-0daf6b7e-27
MAK-UNK-748f8b7a-1
0.653
JOH-IMS-4b4cc7e6-3
0.413
MAK-UNK-748f8b7a-5
0.393
MAK-UNK-748f8b7a-8
0.383
BEN-DND-93268d01-10
0.369
MAR-TRE-e82e6c98-52
0.366
MAK-UNK-748f8b7a-16
0.350
MAK-UNK-748f8b7a-14
0.345
MAR-TRE-c317dd82-81
0.342
MAR-TRE-c317dd82-69
0.329
MAR-TRE-8190bb11-7
0.329
MAK-UNK-748f8b7a-7
0.328
MAK-UNK-748f8b7a-15
0.328
SAD-SAT-24589cd1-7
0.324
MAR-TRE-dab8f6ea-29
0.324
MAK-UNK-748f8b7a-3
0.323
MAK-UNK-748f8b7a-4
0.323
MAR-TRE-0fda4e82-37
0.318
MAK-UNK-748f8b7a-13
0.315
MAR-TRE-be9ff7d2-16
0.314
MAR-TRE-c317dd82-18
0.314
MAR-TRE-c317dd82-96
0.313
MAR-TRE-4f781e27-67
0.312
JOH-IMS-4b4cc7e6-2
0.311
SAD-SAT-24589cd1-2
0.310
MAK-UNK-748f8b7a-10
0.309
MAK-UNK-748f8b7a-2
0.308
MAR-TRE-c317dd82-13
0.308
MAK-UNK-748f8b7a-12
0.306
MAR-TRE-c317dd82-23
0.305
MAR-TRE-799db12b-64
0.304
SAD-SAT-24589cd1-4
0.302
MAR-TRE-c317dd82-27
0.301
MAR-TRE-799db12b-34
0.299
MAR-TRE-c317dd82-7
0.299
MAR-TRE-a9136c7b-11
0.298
MAR-TRE-a9136c7b-17
0.295
MAR-TRE-dab8f6ea-1
0.294
MAR-TRE-d3c2bf0e-47
0.288
MAR-TRE-e82e6c98-55
0.286
JOH-IMS-4b4cc7e6-1
0.283
RAL-MED-2de63afb-14
0.282
MAR-TRE-a9136c7b-65
0.282
SAD-SAT-7d5528d9-3
0.280
MAK-UNK-be5ffcbc-7
0.280
AND-WAB-bfd3647f-2
0.279
MAR-TRE-8190bb11-100
0.278
MAR-TRE-66ac689e-61
0.273
MAR-TRE-dab8f6ea-2
0.273
MAR-TRE-c317dd82-10
0.272
MAR-LAB-ca4662a6-5
0.271
MAR-TRE-c317dd82-22
0.271
MAR-TRE-3e4e6814-16
0.271
MAK-UNK-f983951f-21
0.269
BAR-COM-4e090d3a-39
0.269
SAD-SAT-7d5528d9-1
0.268
RAL-MED-2de63afb-13
0.266
MAR-TRE-8190bb11-39
0.266
SAD-SAT-7d5528d9-2
0.265
MAR-TRE-c317dd82-45
0.264
MAR-TRE-a9136c7b-16
0.264
MAR-TRE-c317dd82-73
0.264
MAR-TRE-85681e92-93
0.263
RAL-MED-2de63afb-2
0.263
MAR-TRE-fd17a9b8-62
0.263
MAR-TRE-be9ff7d2-94
0.261
MAR-TRE-a9136c7b-38
0.261
RAL-MED-2de63afb-7
0.260
TRY-UNI-bbd40bb4-1
0.259
MAR-TRE-e82e6c98-1
0.257
RAL-MED-2de63afb-12
0.257
MAK-UNK-be5ffcbc-4
0.256
MAR-TRE-f5c2d31c-68
0.256
JOR-UNI-2fc98d0b-1
0.256
GIA-UNK-3f36037a-2
0.254
JOH-UNI-27ac80fd-4
0.254
MAR-TRE-6a44bbf2-67
0.254
RAL-MED-2de63afb-3
0.253
MAR-TRE-be9ff7d2-60
0.253
MAR-TRE-9c797165-3
0.253
MAT-POS-b5746674-64
0.253
MAR-TRE-dab8f6ea-20
0.253
RAL-MED-2de63afb-8
0.250
MAR-TRE-dab8f6ea-41
0.250
MAR-TRE-c317dd82-31
0.250
MAR-TRE-c317dd82-40
0.250
JOR-UNI-2fc98d0b-6
0.250
MAR-TRE-d3c2bf0e-64
0.250
JOH-UNI-27ac80fd-1
0.250
MAR-TRE-dab8f6ea-16
0.247
SAD-SAT-24589cd1-6
0.247
MAR-TRE-c317dd82-67
0.247
MAK-UNK-987948f6-11
0.247
MAR-TRE-dab8f6ea-37
0.247
MAR-TRE-66ac689e-43
0.247
MAR-TRE-c317dd82-6
0.247
JOH-UNI-abdb2f0c-3
0.247
NIM-UNI-310206f0-3
0.247
PAT-GYR-359dbb24-4
0.247
PET-SGC-cb83a00c-1
0.247