Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2C(=O)C1=CC=CC1 |
MW: | 392.543 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 34.47 |
cLogP: | 5.50330000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated double bonds (2)
N-Acyl substituted azoheterocycles
vinyl michael acceptor1
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-11
0.682
DAR-DIA-eace69ff-16
0.552
DAR-DIA-eace69ff-2
0.531
DAR-DIA-eace69ff-4
0.526
DAR-DIA-eace69ff-13
0.505
DAR-DIA-eace69ff-1
0.500
DAR-DIA-eace69ff-14
0.485
DAR-DIA-eace69ff-9
0.469
DAR-DIA-eace69ff-17
0.427
DAR-DIA-eace69ff-6
0.423
DAR-DIA-eace69ff-19
0.409
DAR-DIA-eace69ff-10
0.398
DAR-DIA-eace69ff-27
0.398
DAR-DIA-eace69ff-18
0.383
DAR-DIA-eace69ff-7
0.364
DAR-DIA-eace69ff-8
0.355
DAR-DIA-eace69ff-5
0.336
DAR-DIA-eace69ff-3
0.333
DAR-DIA-eace69ff-20
0.287
DAR-DIA-eace69ff-12
0.284
DAR-DIA-eace69ff-24
0.272
DAR-DIA-eace69ff-29
0.243
BAR-COM-4e090d3a-65
0.236
DAR-DIA-eace69ff-28
0.231
BEN-VAN-d8fd1356-27
0.223
BEN-VAN-d8fd1356-25
0.220
BAR-COM-4e090d3a-26
0.219
DAR-DIA-eace69ff-25
0.219
DAR-DIA-eace69ff-26
0.214
MAT-POS-590ac91e-48
0.210
MAT-POS-590ac91e-49
0.208
MAK-UNK-10dfa458-14
0.205
MAK-UNK-176ca439-4
0.203
MAK-UNK-3c359d2a-1
0.203
SAD-SAT-29425be4-30
0.203
DAR-DIA-eace69ff-34
0.202
BEN-VAN-d8fd1356-28
0.202
BAR-COM-4e090d3a-34
0.200
ERI-UCB-a0b0dbcb-6
0.198
ERI-UCB-a0b0dbcb-9
0.198
DAR-DIA-eace69ff-33
0.198
ALI-DIA-59c2fdb0-3
0.197
BEN-VAN-d8fd1356-26
0.195
ALI-DIA-59c2fdb0-2
0.192
MAT-POS-590ac91e-45
0.192
TIM-UNK-bbdeee69-1
0.188
JUL-TUD-06b2044f-114
0.188
MAK-UNK-10dfa458-45
0.187
MAT-POS-590ac91e-54
0.186
ERI-UCB-d6de1f3c-3
0.185
MAK-UNK-ec98eaf6-5
0.185
JOH-IMS-0f19a540-7
0.184
MAR-TRE-b77b7921-22
0.184
MAR-TRE-fffca54f-95
0.183
MAT-POS-b5746674-114
0.183
ALI-DIA-59c2fdb0-4
0.183
BAR-COM-4e090d3a-63
0.181
ALI-DIA-59c2fdb0-1
0.181
LON-WEI-b2874fec-11
0.180
ANT-OPE-47f3bb65-2
0.179
SID-ELM-2583a2cd-15
0.179
EDJ-MED-28b38b9b-2
0.179
MAK-UNK-f2409524-3
0.179
MAR-TRE-04c86cea-25
0.178
BEN-VAN-d8fd1356-29
0.178
EDJ-MED-28b38b9b-3
0.178
ANT-OPE-47f3bb65-3
0.178
TOM-OIS-cbf37265-2
0.178
LON-WEI-b8d98729-34
0.178
ANT-OPE-47f3bb65-1
0.178
MAK-UNK-acefcb18-26
0.177
MAT-UCB-70f7c0f7-3
0.177
MED-COV-4280ac29-17
0.177
JAR-IMP-dd656357-9
0.177
DRA-CSI-7ec17797-12
0.176
MAK-UNK-748f8b7a-3
0.176
MAR-TRE-c8530538-84
0.176
DAR-DIA-eace69ff-30
0.176
LON-WEI-b2874fec-13
0.175
ALP-POS-ced8ea4d-13
0.175
BAR-COM-4e090d3a-50
0.175
HAR-NEW-e34cb1ae-2
0.175
DAR-DIA-eace69ff-22
0.174
GAB-REV-4a4e2ff3-17
0.174
RAL-MED-2de63afb-2
0.174
BEN-VAN-c986b20b-11
0.174
JUL-TUD-06b2044f-122
0.174
DAR-DIA-eace69ff-35
0.173
MAR-TRE-92684b97-70
0.173
ERI-UCB-a0b0dbcb-5
0.173
MAT-POS-590ac91e-44
0.173
MAT-POS-3b92565d-9
0.173
MAK-UNK-e4a48a85-19
0.173
WAR-XCH-bdd24732-20
0.173
DAR-DIA-eace69ff-23
0.173
AND-UNI-23ac02e4-1
0.172
ALI-DIA-59c2fdb0-6
0.172
MAK-UNK-f2409524-24
0.172
RED-RED-10c9212c-33
0.172
ALI-DIA-59c2fdb0-5
0.172