Molecular Properties | |
SMILES: | CCc1cc(NC2CCCCC2)c2c(c1)c(CN(C)C)cn2C(C)=O |
MW: | 341.499 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 37.27 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-Acyl substituted azoheterocycles
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-6
0.691
DAR-DIA-eace69ff-5
0.571
DAR-DIA-eace69ff-24
0.446
DAR-DIA-eace69ff-15
0.427
DAR-DIA-eace69ff-11
0.412
DAR-DIA-eace69ff-10
0.400
DAR-DIA-eace69ff-13
0.387
DAR-DIA-eace69ff-4
0.381
DAR-DIA-eace69ff-16
0.378
DAR-DIA-eace69ff-1
0.357
DAR-DIA-eace69ff-14
0.357
DAR-DIA-eace69ff-2
0.350
DAR-DIA-eace69ff-9
0.343
DAR-DIA-eace69ff-19
0.304
DAR-DIA-eace69ff-7
0.298
DAR-DIA-eace69ff-20
0.293
DAR-DIA-eace69ff-27
0.293
DAR-DIA-eace69ff-12
0.290
DAR-DIA-eace69ff-18
0.280
DAR-DIA-eace69ff-8
0.276
DAR-DIA-eace69ff-29
0.272
DAR-DIA-eace69ff-3
0.245
MAK-UNK-f2409524-26
0.245
DAR-DIA-eace69ff-25
0.245
DAR-DIA-eace69ff-28
0.245
MAR-TRE-f6f5f473-35
0.236
MAK-UNK-f2409524-27
0.235
MAK-UNK-f2409524-3
0.235
CES-WAB-18e74d70-1
0.230
PET-SGC-c429dc17-1
0.230
MAK-UNK-f2409524-8
0.229
DAR-DIA-eace69ff-34
0.227
LON-WEI-4d77710c-27
0.225
LON-WEI-5e7d1b3e-27
0.225
MAK-UNK-f2409524-13
0.223
DAR-DIA-03336633-12
0.223
MAK-UNK-f2409524-20
0.222
NIC-UNI-f08e2453-2
0.221
MAK-UNK-f2409524-1
0.221
MAK-UNK-f2409524-28
0.220
MAR-TRE-3159af1a-49
0.219
MAK-UNK-f2409524-2
0.219
MAK-UNK-f2409524-15
0.219
MAK-UNK-f2409524-18
0.219
CAS-DEP-167c18e3-2
0.219
MAK-UNK-f2409524-22
0.219
NIR-THE-0d6461ce-3
0.218
SID-ELM-8b394441-18
0.216
NIR-THE-0d6461ce-7
0.216
MAK-UNK-f2409524-30
0.216
JAN-GHE-fd8d85a5-8
0.214
SAD-SAT-24589cd1-9
0.214
JAN-GHE-fd8d85a5-11
0.214
MAK-UNK-212f693e-19
0.213
MAK-UNK-f2409524-32
0.212
GIA-UNK-3f36037a-1
0.212
MAK-UNK-212f693e-14
0.212
BEN-VAN-d8fd1356-27
0.212
ROB-UNI-b2e39629-8
0.212
MAK-UNK-f2409524-36
0.210
AAR-POS-d2a4d1df-12
0.209
MAK-UNK-c97f7c8f-2
0.208
BEN-VAN-d8fd1356-25
0.208
MAR-TRE-0fda4e82-42
0.208
DRA-CSI-47e38074-2
0.207
DAR-DIA-0d514e7d-5
0.207
SID-ELM-b654bfa2-9
0.206
MAR-TRE-b77b7921-35
0.206
AAR-UNI-c25c2f1e-96
0.206
MAR-TRE-04c86cea-68
0.206
SAD-SAT-cefd50cc-4
0.206
ALI-DIA-59c2fdb0-3
0.205
MAK-UNK-f2409524-12
0.205
DRA-CSI-47e38074-3
0.205
BAR-COM-4e090d3a-20
0.204
BEN-VAN-d8fd1356-26
0.204
DOU-UNK-b5326f8f-3
0.204
MAR-TRE-0fda4e82-2
0.204
NIR-THE-0d6461ce-9
0.202
ALI-DIA-59c2fdb0-7
0.202
ALI-DIA-59c2fdb0-8
0.202
DAN-MCD-881986d8-1
0.202
DAR-DIA-eace69ff-26
0.200
AND-UNI-23ac02e4-1
0.200
SID-ELM-2583a2cd-15
0.200
MAR-TRE-f6f5f473-98
0.200
ALI-DIA-59c2fdb0-2
0.200
MAK-UNK-f2409524-11
0.200
MAK-UNK-f2409524-24
0.200
MAK-UNK-f2409524-31
0.200
CHA-KIN-ceadbd93-3
0.200
CLI-TLC-0925f3e9-1
0.200
MAK-UNK-f2409524-25
0.198
DAR-DIA-03336633-6
0.198
CLI-TLC-6e8ddb09-1
0.198
TOM-OIS-cbf37265-2
0.198
ANT-OPE-47f3bb65-1
0.198
LON-WEI-b8d98729-34
0.198
TIM-UNK-bbdeee69-1
0.198
MAK-UNK-748f8b7a-3
0.198