Molecular Properties | |
SMILES: | CCc1cc(NC2CCCCC2)c2c(c1)c(CN(C)C)cn2C(=O)c1ccccc1 |
MW: | 403.57 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 37.27 |
cLogP: | 5.69840000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-Acyl substituted azoheterocycles
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-17
0.691
DAR-DIA-eace69ff-11
0.609
DAR-DIA-eace69ff-10
0.600
DAR-DIA-eace69ff-2
0.531
DAR-DIA-eace69ff-5
0.521
DAR-DIA-eace69ff-20
0.444
DAR-DIA-eace69ff-15
0.423
DAR-DIA-eace69ff-24
0.394
DAR-DIA-eace69ff-14
0.371
DAR-DIA-eace69ff-9
0.358
DAR-DIA-eace69ff-4
0.343
DAR-DIA-eace69ff-16
0.337
DAR-DIA-eace69ff-13
0.333
DAR-DIA-eace69ff-1
0.333
DAR-DIA-eace69ff-12
0.333
DAR-DIA-eace69ff-7
0.315
DAR-DIA-eace69ff-8
0.295
DAR-DIA-eace69ff-3
0.287
DAR-DIA-eace69ff-19
0.284
ZAC-WAB-0847d168-1
0.274
SIM-SYN-7db9eb24-2
0.264
DAR-DIA-eace69ff-27
0.262
ZAC-WAB-b0242612-1
0.261
CAS-DEP-167c18e3-2
0.255
GIA-UNK-d2defdc3-9
0.252
GIA-UNK-595fac82-2
0.250
DAR-DIA-eace69ff-18
0.250
ROM-UNK-ef52a3c9-4
0.248
WAR-XCH-bdd24732-37
0.248
MAR-TRE-f6f5f473-35
0.246
GIA-UNK-d2defdc3-4
0.243
DAR-DIA-eace69ff-29
0.243
AAR-POS-0daf6b7e-5
0.240
DAR-DIA-03336633-7
0.239
BEN-DND-09b88bf4-1
0.239
BEN-DND-6de5dfa0-2
0.239
LON-WEI-4d77710c-27
0.236
LON-WEI-5e7d1b3e-27
0.236
DAR-DIA-03336633-13
0.233
MAK-UNK-b2c98f02-1
0.233
DRA-CSI-47e38074-3
0.232
HAN-NEW-5f56c3bc-3
0.231
DAR-DIA-03336633-1
0.231
GIA-UNK-5ec6c2b8-1
0.231
GIA-UNK-d2defdc3-7
0.231
MAT-POS-b5746674-53
0.230
MAT-POS-b5746674-116
0.230
MIC-SGC-657978c3-2
0.229
IFT-SAT-023cfffe-4
0.228
DRA-CSI-7ec17797-3
0.227
DAR-DIA-0d514e7d-5
0.227
MAR-TRE-6a44bbf2-9
0.225
GIA-UNK-995df016-10
0.224
DRA-CSI-47e38074-13
0.223
DRA-CSI-47e38074-2
0.222
MAR-TRE-f6f5f473-89
0.222
DAR-DIA-03336633-2
0.222
MAK-UNK-f2409524-3
0.222
MAK-UNK-f2409524-26
0.221
MAR-LAB-efb042c5-2
0.221
WAR-XCH-bdd24732-36
0.220
MAK-UNK-f2409524-36
0.220
MAR-TRE-3159af1a-49
0.219
DAR-DIA-eace69ff-25
0.219
DAR-DIA-eace69ff-28
0.219
MAK-UNK-8fdbca50-23
0.219
DRA-CSI-47e38074-12
0.219
LON-WEI-5e7d1b3e-34
0.218
MAT-POS-b5746674-101
0.218
LON-WEI-4d77710c-34
0.218
MAT-POS-b5746674-107
0.218
LON-WEI-4d77710c-54
0.218
LON-WEI-5e7d1b3e-54
0.218
MAK-UNK-f2409524-8
0.218
PET-SGC-c429dc17-1
0.218
CES-WAB-18e74d70-1
0.218
MAR-TRE-04c86cea-68
0.217
MAK-UNK-987948f6-2
0.217
GIA-UNK-d2defdc3-2
0.216
MAK-UNK-f2409524-35
0.216
GIA-UNK-d2defdc3-6
0.216
NIC-UNI-0cb6411b-1
0.216
PAU-UNI-6d15a9f5-1
0.216
MAD-UNK-3bd48932-1
0.215
MAD-UNK-d7ec037c-1
0.215
MAD-UNK-d7ec037c-3
0.215
MAD-UNK-1cc096ab-1
0.215
MAD-UNK-4169353f-1
0.215
DRA-CSI-47e38074-16
0.214
DAR-DIA-03336633-14
0.214
DRA-CSI-47e38074-14
0.214
DAR-DIA-03336633-12
0.213
NIC-BIO-2722da07-2
0.213
DRA-CSI-47e38074-6
0.213
MAK-UNK-b2c98f02-5
0.212
MAR-LAB-ff9967db-38
0.212
MAR-TRE-92684b97-70
0.211
DRA-CSI-47e38074-15
0.211
MIC-SGC-657978c3-4
0.211
RED-RED-10c9212c-36
0.211