Molecular Properties | |
SMILES: | CN(CCCNC(=O)NC1CCCCC1)Cc1cncnc1 |
MW: | 305.426 |
Fraction sp3: | 0.69 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 70.15 |
cLogP: | 1.9304 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-POS-d2a4d1df-12
0.438
MAK-UNK-f2409524-15
0.414
MAK-UNK-f2409524-4
0.414
MAK-UNK-f2409524-14
0.409
MAK-UNK-f2409524-37
0.394
MAK-UNK-f2409524-7
0.389
PET-SGC-c429dc17-1
0.388
CES-WAB-18e74d70-1
0.388
MAK-UNK-f2409524-6
0.362
MAK-UNK-f2409524-16
0.361
LON-WEI-af038623-1
0.360
DAR-DIA-03336633-6
0.354
DAR-DIA-03336633-5
0.351
DAR-DIA-03336633-7
0.344
MAK-UNK-f2409524-18
0.337
AAR-UNI-c25c2f1e-69
0.337
DAR-DIA-03336633-2
0.337
HAN-NEW-5f56c3bc-3
0.333
DAR-DIA-03336633-1
0.333
TRY-UNI-714a760b-11
0.329
ALE-HEI-f28a35b5-7
0.329
PET-SGC-a9e9d4f4-1
0.327
MAK-UNK-f2409524-13
0.325
TRY-UNI-714a760b-7
0.321
MAK-UNK-748f8b7a-7
0.321
ALE-HEI-f28a35b5-8
0.321
MAK-UNK-748f8b7a-15
0.320
NIC-UNI-f08e2453-2
0.317
MAK-UNK-748f8b7a-3
0.316
AAR-UNI-c25c2f1e-3
0.315
DAR-DIA-03336633-4
0.314
MAK-UNK-f2409524-5
0.312
AAR-UNI-c25c2f1e-96
0.311
DAR-DIA-03336633-3
0.311
MAK-UNK-f2409524-17
0.309
MAK-UNK-f2409524-32
0.307
MAK-UNK-f2409524-36
0.306
MAK-UNK-f2409524-33
0.306
MAK-UNK-f2409524-19
0.304
MAK-UNK-f2409524-34
0.286
MAK-UNK-f2409524-35
0.286
SAD-SAT-edc8a235-1
0.284
MAK-UNK-f2409524-31
0.283
ZAC-WAB-b0242612-1
0.282
MAK-UNK-f2409524-9
0.280
MAR-TRE-799db12b-51
0.277
MAR-TRE-92684b97-39
0.276
MAK-UNK-f2409524-20
0.275
GIA-UNK-3f36037a-3
0.273
MAK-UNK-748f8b7a-2
0.272
MAR-TRE-c317dd82-88
0.272
MAK-UNK-f2409524-10
0.271
DAR-DIA-03336633-12
0.269
MAK-UNK-748f8b7a-4
0.268
MAK-UNK-748f8b7a-13
0.267
DOU-UNK-b5326f8f-3
0.266
MAR-TRE-be9ff7d2-42
0.264
MAR-TRE-4f781e27-77
0.264
MAR-TRE-92684b97-62
0.264
PET-SGC-f913cec9-1
0.263
MAK-UNK-748f8b7a-14
0.263
MAK-UNK-748f8b7a-8
0.263
MAR-TRE-be9ff7d2-19
0.261
MAR-TRE-92684b97-83
0.261
MAK-UNK-f2409524-27
0.260
MAR-TRE-e82e6c98-78
0.258
AAR-UNI-c25c2f1e-4
0.258
JOH-IMS-4b4cc7e6-3
0.258
NIM-UNI-363644a0-2
0.258
DAR-DIA-03336633-13
0.257
MAR-TRE-b77b7921-35
0.255
MAK-UNK-f2409524-2
0.255
MAR-TRE-9d18ae8c-16
0.255
SIM-DEM-2843056b-6
0.255
MAK-UNK-748f8b7a-12
0.253
MAK-UNK-748f8b7a-16
0.253
SID-ELM-2583a2cd-15
0.253
RAL-MED-2de63afb-5
0.253
CHA-KIN-f512e507-3
0.252
MAR-TRE-4f781e27-7
0.250
CLI-TLC-0b41e95c-1
0.250
MAR-TRE-3e4e6814-82
0.250
MAR-TRE-e82e6c98-65
0.250
MAR-TRE-8190bb11-99
0.250
CLI-TLC-0925f3e9-1
0.247
MAR-TRE-a9136c7b-89
0.247
MAR-TRE-e82e6c98-2
0.247
MAR-TRE-04c86cea-8
0.245
CHA-KIN-f512e507-2
0.245
MAR-TRE-f6f5f473-98
0.245
MAR-LAB-efb042c5-2
0.245
MAR-TRE-e82e6c98-96
0.245
WAR-XCH-bdd24732-36
0.245
MAR-TRE-e82e6c98-40
0.245
MAR-TRE-92684b97-36
0.245
SID-ELM-b654bfa2-9
0.244
SID-ELM-2583a2cd-19
0.244
CAL-WAB-b78df3bb-1
0.243
MAK-UNK-f2409524-28
0.243
JAN-LUN-3e0f9c09-3
0.242