Molecular Properties | |
SMILES: | CC(CNC(=O)NC1CCCCC1)NC(=O)CCNc1cncnc1 |
MW: | 348.451 |
Fraction sp3: | 0.65 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 8 |
TPSA: | 108.04 |
cLogP: | 1.4152 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAK-UNK-f2409524-13
0.439
MAK-UNK-f2409524-9
0.430
MAK-UNK-f2409524-3
0.409
MAK-UNK-f2409524-37
0.376
PET-SGC-c429dc17-1
0.370
CES-WAB-18e74d70-1
0.370
MAK-UNK-f2409524-10
0.365
MAK-UNK-f2409524-4
0.365
AAR-POS-d2a4d1df-12
0.361
LON-WEI-af038623-1
0.358
MAK-UNK-f2409524-15
0.351
MAK-UNK-f2409524-18
0.351
DAR-DIA-03336633-2
0.350
MAK-UNK-f2409524-33
0.347
DAR-DIA-03336633-6
0.340
DAR-DIA-03336633-5
0.324
ALE-HEI-f28a35b5-8
0.321
MAK-UNK-f2409524-16
0.321
MAK-UNK-f2409524-6
0.320
HAN-NEW-5f56c3bc-3
0.320
DAR-DIA-03336633-1
0.320
NIC-UNI-f08e2453-2
0.318
DAR-DIA-03336633-7
0.317
AAR-UNI-c25c2f1e-3
0.316
PET-SGC-a9e9d4f4-1
0.315
TRY-UNI-714a760b-11
0.314
ALE-HEI-f28a35b5-7
0.314
MAK-UNK-f2409524-31
0.311
MAK-UNK-f2409524-32
0.308
DAR-DIA-03336633-3
0.300
AAR-UNI-c25c2f1e-96
0.299
MAK-UNK-f2409524-36
0.297
MAK-UNK-f2409524-19
0.293
TRY-UNI-714a760b-7
0.292
DAR-DIA-03336633-4
0.292
MAK-UNK-f2409524-7
0.291
MAK-UNK-f2409524-34
0.288
PET-SGC-f913cec9-1
0.288
MAK-UNK-f2409524-17
0.288
MAK-UNK-f2409524-35
0.288
SAD-SAT-edc8a235-1
0.288
SIM-DEM-2843056b-6
0.283
MAK-UNK-f2409524-5
0.281
CAL-WAB-b78df3bb-1
0.280
MAR-TRE-92684b97-36
0.276
MAR-TRE-f6f5f473-98
0.274
MAK-UNK-748f8b7a-3
0.273
DAR-DIA-03336633-12
0.273
MAR-TRE-85681e92-61
0.272
ZAC-WAB-b0242612-1
0.271
LON-WEI-4d77710c-27
0.267
LON-WEI-5e7d1b3e-27
0.267
MAR-TRE-f6f5f473-76
0.267
MAR-TRE-92684b97-83
0.266
MAK-UNK-f2409524-20
0.265
MAR-TRE-85681e92-47
0.262
GIA-UNK-3f36037a-3
0.262
AAR-UNI-c25c2f1e-69
0.260
MAR-TRE-9d18ae8c-16
0.260
MAR-TRE-799db12b-62
0.257
MAR-TRE-85681e92-93
0.256
MED-UNK-e6e8ef8a-1
0.256
MAR-TRE-3e4e6814-82
0.255
MAR-TRE-92684b97-100
0.255
MAR-TRE-4f781e27-77
0.255
BAR-COM-4e090d3a-67
0.255
SIM-DEM-2843056b-4
0.255
MAR-TRE-85681e92-88
0.253
MAR-TRE-85681e92-85
0.253
MAR-TRE-be9ff7d2-19
0.253
SID-ELM-b654bfa2-8
0.253
MAK-UNK-f2409524-27
0.252
MAK-UNK-f2409524-30
0.252
MAR-TRE-85681e92-57
0.250
MAK-UNK-f2409524-21
0.250
DAR-DIA-03336633-13
0.250
MAR-LAB-efb042c5-2
0.250
MAK-UNK-f2409524-28
0.248
NAM-UNK-f7c77a48-2
0.248
MAK-UNK-f2409524-2
0.248
MAR-TRE-a9136c7b-29
0.248
MAR-TRE-b77b7921-35
0.248
MAR-TRE-9d18ae8c-57
0.247
TRY-UNI-714a760b-16
0.247
MAR-TRE-c317dd82-88
0.247
MAK-UNK-748f8b7a-7
0.247
MAR-TRE-c317dd82-89
0.245
DOU-UNK-b5326f8f-3
0.245
CHA-KIN-ceadbd93-3
0.245
MAK-UNK-748f8b7a-15
0.244
SIM-DEM-2843056b-3
0.243
MAR-TRE-799db12b-51
0.243
MAR-TRE-be9ff7d2-35
0.242
MAR-TRE-be9ff7d2-12
0.242
BEN-DND-93268d01-1
0.241
BRU-THA-40a53a3c-1
0.241
BEN-DND-03406596-11
0.241
BEN-DND-03406596-12
0.241
BEN-DND-03406596-4
0.241
MAR-TRE-85681e92-97
0.241