Molecular Properties | |
SMILES: | O=C(NCCC1OCC(c2cncnc2)C(O)C1O)NC1CCCCC1 |
MW: | 364.446 |
Fraction sp3: | 0.72 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 116.6 |
cLogP: | 0.702799999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-f2409524-37
0.453
MAK-UNK-f2409524-3
0.414
AAR-POS-d2a4d1df-12
0.400
MAK-UNK-f2409524-14
0.365
LON-WEI-af038623-1
0.347
PET-SGC-c429dc17-1
0.344
CES-WAB-18e74d70-1
0.344
DAR-DIA-03336633-2
0.327
MAK-UNK-f2409524-15
0.327
ALE-HEI-f28a35b5-8
0.325
MAK-UNK-f2409524-16
0.324
MAK-UNK-f2409524-7
0.320
TRY-UNI-714a760b-11
0.318
ALE-HEI-f28a35b5-7
0.318
DAR-DIA-03336633-5
0.314
MAK-UNK-f2409524-18
0.313
HAN-NEW-5f56c3bc-3
0.311
DAR-DIA-03336633-1
0.311
MAK-UNK-f2409524-6
0.311
TRY-UNI-714a760b-7
0.310
DAR-DIA-03336633-7
0.308
DAR-DIA-03336633-6
0.306
MAK-UNK-f2409524-33
0.298
MAR-TRE-799db12b-51
0.296
MAK-UNK-f2409524-5
0.294
AAR-UNI-c25c2f1e-3
0.292
DAR-DIA-03336633-3
0.291
MAK-UNK-f2409524-13
0.286
DAR-DIA-03336633-4
0.283
PET-SGC-a9e9d4f4-1
0.282
MAK-UNK-f2409524-17
0.280
MAK-UNK-f2409524-32
0.275
ZAC-WAB-b0242612-1
0.274
MAK-UNK-f2409524-9
0.273
NIC-UNI-f08e2453-2
0.273
MAK-UNK-f2409524-34
0.268
MAK-UNK-f2409524-36
0.267
MAK-UNK-f2409524-11
0.264
MAK-UNK-f2409524-31
0.264
AAR-UNI-c25c2f1e-96
0.263
AAR-UNI-c25c2f1e-69
0.262
CAL-WAB-b78df3bb-1
0.261
MAK-UNK-f2409524-35
0.260
MAK-UNK-f2409524-19
0.257
SAD-SAT-edc8a235-1
0.257
MAR-TRE-be9ff7d2-100
0.255
MAR-TRE-c317dd82-88
0.250
GIA-UNK-3f36037a-3
0.250
NAM-UNK-f7c77a48-2
0.250
MAR-TRE-8190bb11-39
0.250
MAK-UNK-f2409524-10
0.250
DOU-UNK-b5326f8f-3
0.248
MAR-TRE-799db12b-4
0.245
MAR-TRE-be9ff7d2-81
0.242
MAR-TRE-04c86cea-8
0.241
DAR-DIA-03336633-13
0.241
MAR-TRE-9d18ae8c-16
0.238
MAR-TRE-f5c2d31c-93
0.238
MAK-UNK-748f8b7a-7
0.236
MAK-UNK-748f8b7a-13
0.235
MAK-UNK-f2409524-12
0.234
WAR-XCH-bdd24732-29
0.233
MAK-UNK-748f8b7a-15
0.233
MAR-TRE-4f781e27-7
0.232
MAR-TRE-be9ff7d2-42
0.232
DAR-DIA-03336633-12
0.230
MAK-UNK-f2409524-20
0.230
MAR-TRE-4f781e27-65
0.230
MAR-TRE-92684b97-37
0.230
MAK-UNK-f2409524-21
0.229
MAR-TRE-be9ff7d2-19
0.229
MAR-TRE-92684b97-83
0.229
MAR-TRE-85681e92-89
0.229
MAR-TRE-f6f5f473-15
0.228
MAR-TRE-e82e6c98-40
0.228
MAR-TRE-e82e6c98-78
0.228
MAR-TRE-be9ff7d2-60
0.228
PET-SGC-f913cec9-1
0.228
SIM-DEM-2843056b-6
0.227
NIM-UNI-363644a0-2
0.227
MAR-TRE-be9ff7d2-22
0.227
MAR-TRE-8190bb11-9
0.226
MAR-TRE-be9ff7d2-52
0.226
MAK-UNK-f2409524-2
0.226
MAT-POS-b5746674-13
0.225
MAR-TRE-8190bb11-33
0.224
MAR-TRE-9d18ae8c-57
0.224
MAR-TRE-e82e6c98-35
0.224
MAR-TRE-4f781e27-8
0.224
MAR-TRE-799db12b-18
0.224
MAR-TRE-0fda4e82-2
0.223
MAR-TRE-be9ff7d2-8
0.223
MAR-TRE-e82e6c98-25
0.222
MAR-TRE-be9ff7d2-74
0.222
MED-UNK-7e7dab56-11
0.222
MAR-TRE-8190bb11-99
0.222
SAL-INS-3161d1be-3
0.221
MAR-TRE-04c86cea-10
0.221
MAR-TRE-799db12b-57
0.221
LON-WEI-4d77710c-27
0.221