Molecular Properties | |
SMILES: | CC(=O)NC1CCC(Oc2cncnc2)C(C)C1CCNC(=O)NC1CCCCC1 |
MW: | 417.554 |
Fraction sp3: | 0.73 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 105.24 |
cLogP: | 2.7968 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-f2409524-4
0.453
MAK-UNK-f2409524-3
0.394
MAK-UNK-f2409524-14
0.376
CES-WAB-18e74d70-1
0.357
PET-SGC-c429dc17-1
0.357
AAR-POS-d2a4d1df-12
0.348
MAK-UNK-f2409524-15
0.340
MAK-UNK-f2409524-16
0.336
LON-WEI-af038623-1
0.320
MAK-UNK-f2409524-18
0.314
MAK-UNK-f2409524-32
0.312
MAK-UNK-f2409524-34
0.304
MAK-UNK-f2409524-17
0.303
DAR-DIA-03336633-2
0.303
MAK-UNK-f2409524-6
0.300
MAK-UNK-f2409524-33
0.300
TRY-UNI-714a760b-7
0.298
MAK-UNK-f2409524-7
0.296
DAR-DIA-03336633-6
0.296
AAR-UNI-c25c2f1e-96
0.291
DAR-DIA-03336633-5
0.291
TRY-UNI-714a760b-11
0.290
MAK-UNK-f2409524-36
0.290
ALE-HEI-f28a35b5-7
0.290
MAK-UNK-f2409524-13
0.289
HAN-NEW-5f56c3bc-3
0.288
DAR-DIA-03336633-1
0.288
DAR-DIA-03336633-7
0.286
DAR-DIA-03336633-4
0.286
MAK-UNK-f2409524-19
0.286
PET-SGC-a9e9d4f4-1
0.274
MAK-UNK-f2409524-35
0.273
DAR-DIA-03336633-3
0.271
ALE-HEI-f28a35b5-8
0.269
MAK-UNK-f2409524-31
0.268
MAK-UNK-f2409524-2
0.266
AAR-UNI-c25c2f1e-69
0.266
MAK-UNK-f2409524-30
0.258
MAK-UNK-f2409524-5
0.256
NIC-UNI-f08e2453-2
0.254
MAR-TRE-a9136c7b-89
0.248
MAK-UNK-f2409524-20
0.248
MAR-TRE-92684b97-83
0.248
MAK-UNK-f2409524-21
0.246
AAR-UNI-c25c2f1e-3
0.245
MAR-TRE-e82e6c98-78
0.245
MAR-TRE-3159af1a-49
0.243
GIA-UNK-3f36037a-3
0.242
DOU-UNK-b5326f8f-3
0.241
MED-UNK-7e7dab56-11
0.240
NIM-UNI-363644a0-2
0.240
MAK-UNK-f2409524-9
0.237
MAR-TRE-be9ff7d2-100
0.237
ZAC-WAB-b0242612-1
0.237
MAR-TRE-fd17a9b8-96
0.236
MAK-UNK-f2409524-27
0.236
MAK-UNK-f2409524-1
0.234
MAR-TRE-a9136c7b-64
0.234
MAK-UNK-f2409524-28
0.233
SIM-DEM-2843056b-6
0.233
PET-SGC-f913cec9-1
0.233
MAR-TRE-be9ff7d2-52
0.232
SAD-SAT-edc8a235-1
0.232
MAR-TRE-b77b7921-35
0.231
MAK-UNK-f2409524-10
0.230
MAR-TRE-c317dd82-89
0.229
MAK-UNK-748f8b7a-7
0.229
MAR-TRE-c317dd82-88
0.229
BEN-DND-6de5dfa0-14
0.229
MAR-TRE-799db12b-51
0.227
MAK-UNK-748f8b7a-3
0.227
MAR-TRE-3e4e6814-82
0.226
MAR-TRE-92684b97-62
0.226
MAK-UNK-748f8b7a-15
0.226
MAR-TRE-e82e6c98-65
0.225
MAK-UNK-f2409524-11
0.224
MIC-UNK-ea979c74-4
0.224
MAR-TRE-be9ff7d2-19
0.223
MAR-TRE-92684b97-39
0.223
MAR-TRE-92684b97-70
0.223
MAR-TRE-92684b97-36
0.222
JAN-GHE-76def03c-3
0.221
MAR-TRE-0fda4e82-42
0.221
MAR-TRE-be9ff7d2-51
0.220
MAR-TRE-e82e6c98-56
0.219
MAR-TRE-9d18ae8c-57
0.219
MAR-TRE-be9ff7d2-8
0.218
RAL-MED-2de63afb-2
0.218
MAR-TRE-f6f5f473-76
0.217
MAR-TRE-92684b97-57
0.216
MAR-TRE-be9ff7d2-95
0.216
LON-WEI-5e7d1b3e-27
0.216
LON-WEI-4d77710c-27
0.216
MAR-TRE-9d18ae8c-86
0.216
MAR-TRE-c317dd82-82
0.216
MAR-TRE-c317dd82-46
0.216
MAR-TRE-4f781e27-77
0.215
MAR-TRE-be9ff7d2-30
0.215
SID-ELM-2583a2cd-13
0.215
DAR-DIA-03336633-12
0.215