Molecular Properties | |
SMILES: | C/C(=C/CCNc1cncnc1)NC1CCCCC1 |
MW: | 260.385 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 49.84 |
cLogP: | 3.1047 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Enamines
MAK-UNK-f2409524-14
0.439
MAK-UNK-f2409524-27
0.402
MAK-UNK-f2409524-9
0.394
MAK-UNK-f2409524-10
0.378
MAK-UNK-f2409524-3
0.325
MAK-UNK-f2409524-7
0.308
MAR-TRE-85681e92-47
0.296
MAK-UNK-f2409524-8
0.295
ALE-HEI-f28a35b5-8
0.293
MAR-TRE-85681e92-93
0.292
SAD-SAT-edc8a235-1
0.290
MAK-UNK-f2409524-37
0.289
CES-WAB-18e74d70-1
0.287
PET-SGC-c429dc17-1
0.287
AAR-POS-d2a4d1df-12
0.286
MAK-UNK-f2409524-4
0.286
MAK-UNK-f2409524-6
0.284
DOU-UNK-b5326f8f-3
0.284
MAK-UNK-f2409524-20
0.279
MAK-UNK-f2409524-12
0.278
LON-WEI-af038623-1
0.278
MAK-UNK-f2409524-21
0.274
MAR-TRE-b77b7921-35
0.273
MAK-UNK-f2409524-16
0.273
AAR-UNI-c25c2f1e-96
0.273
MAK-UNK-f2409524-15
0.272
TRY-UNI-714a760b-11
0.269
ALE-HEI-f28a35b5-7
0.269
MAR-TRE-85681e92-90
0.269
MAK-UNK-f2409524-19
0.267
MAR-TRE-a9136c7b-89
0.264
TRY-UNI-714a760b-7
0.263
MAR-LAB-efb042c5-2
0.261
DAR-DIA-03336633-2
0.260
MAK-UNK-f2409524-11
0.260
MAK-UNK-f2409524-31
0.260
MAR-TRE-f6f5f473-98
0.260
GIA-UNK-3f36037a-1
0.260
MAK-UNK-748f8b7a-7
0.260
MAR-TRE-3159af1a-49
0.258
MAK-UNK-f2409524-2
0.258
MAK-UNK-f2409524-28
0.258
MAK-UNK-f2409524-33
0.258
DAR-DIA-03336633-6
0.255
JAN-GHE-76def03c-3
0.255
MAR-TRE-85681e92-61
0.254
MAR-TRE-85681e92-97
0.254
MAR-TRE-be9ff7d2-42
0.253
MAR-TRE-e82e6c98-65
0.253
MAR-TRE-f6f5f473-76
0.253
MAK-UNK-f2409524-34
0.252
MAR-TRE-92684b97-83
0.250
MAK-UNK-f2409524-32
0.248
MAK-UNK-f2409524-26
0.247
MAR-TRE-a9136c7b-64
0.247
MAR-TRE-92684b97-36
0.247
CAL-WAB-b78df3bb-1
0.245
NIC-UNI-f08e2453-2
0.245
HAN-NEW-5f56c3bc-3
0.245
DAR-DIA-03336633-1
0.245
NAM-UNK-f7c77a48-2
0.245
MAK-UNK-f2409524-18
0.245
MAR-TRE-c317dd82-8
0.244
MAR-TRE-85681e92-76
0.244
MAR-TRE-c317dd82-88
0.244
MAR-TRE-92684b97-57
0.244
MAK-UNK-748f8b7a-2
0.244
GIA-UNK-3f36037a-3
0.243
DAR-DIA-03336633-7
0.242
LON-WEI-adc59df6-8
0.242
MAR-TRE-85681e92-11
0.242
MAR-TRE-14ce9fd6-1
0.241
MAR-TRE-c317dd82-73
0.241
MAK-UNK-748f8b7a-3
0.241
MAK-UNK-748f8b7a-15
0.240
CLI-TLC-0b41e95c-1
0.239
MAK-UNK-f2409524-30
0.238
MAK-UNK-f2409524-5
0.237
CLI-TLC-0925f3e9-1
0.237
MAR-TRE-799db12b-29
0.235
DAR-DIA-03336633-5
0.235
MAR-TRE-85681e92-83
0.234
MAR-TRE-85681e92-50
0.234
MAK-UNK-f2409524-1
0.234
MAR-TRE-85681e92-85
0.234
MAR-TRE-4f781e27-38
0.233
MAR-TRE-85681e92-22
0.233
MAR-TRE-85681e92-1
0.232
MAR-TRE-74c6519b-48
0.232
MAR-TRE-f5c2d31c-93
0.231
MAR-TRE-85681e92-24
0.231
MAR-TRE-c317dd82-26
0.231
MAR-TRE-85681e92-28
0.230
MAR-TRE-e82e6c98-34
0.230
MAR-TRE-9d18ae8c-57
0.230
SAD-SAT-cefd50cc-4
0.229
MAR-TRE-85681e92-57
0.229
DAR-DIA-03336633-3
0.229
MAR-TRE-c317dd82-89
0.228
MAR-TRE-be9ff7d2-8
0.228