Molecular Properties | |
SMILES: | O=C(/C=C/c1cnc2ccccc2n1)c1ccc(I)cc1 |
MW: | 386.192 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 42.85 |
cLogP: | 4.1305 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
iodine
Filter9_metal
Filter44_michael_acceptor2
aryl iodide
unacceptable atoms
Ketone
Dye 9
vinyl michael acceptor1
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-2
0.763
DRV-DNY-ae159ed1-11
0.759
DRV-DNY-ae159ed1-6
0.733
DRV-DNY-ae159ed1-3
0.733
DRV-DNY-ae159ed1-13
0.733
DRV-DNY-ae159ed1-4
0.733
DRV-DNY-ae159ed1-1
0.724
DRV-DNY-ae159ed1-7
0.710
DRV-DNY-ae159ed1-15
0.689
DRV-DNY-ae159ed1-8
0.688
DRV-DNY-ae159ed1-16
0.625
DRV-DNY-ae159ed1-12
0.597
DRV-DNY-ae159ed1-10
0.597
DRV-DNY-ae159ed1-18
0.594
DRV-DNY-ae159ed1-14
0.588
DRV-DNY-ae159ed1-17
0.561
DRV-DNY-ae159ed1-9
0.548
DRV-DNY-ae159ed1-20
0.544
DRV-DNY-ae159ed1-19
0.500
DRV-DNY-5c7d8ee8-1
0.266
MAR-TRE-66ac689e-39
0.265
DAV-IMP-59dd6621-12
0.254
MAR-TRE-8a25d817-13
0.253
MAR-TRE-aca67d11-18
0.253
LIL-FNM-97d58b1d-1
0.238
DAV-IMP-59dd6621-11
0.234
MAR-LAB-ff9967db-7
0.228
MAT-POS-ea426761-100
0.224
DRV-DNY-5c7d8ee8-2
0.221
RED-RED-10c9212c-30
0.219
DAV-IMP-59dd6621-10
0.212
MAR-TRE-f6f5f473-33
0.210
DRV-DNY-3e405af9-9
0.208
GAB-REV-df64cf17-21
0.204
MAR-TRE-aca67d11-28
0.200
MAR-TRE-92684b97-65
0.200
AAR-POS-fca48359-2
0.200
MAR-TRE-9d18ae8c-12
0.196
MAR-TRE-f5c2d31c-91
0.196
DRR-SHR-2ae5ab8c-10
0.194
GAB-REV-70cc3ca5-9
0.194
MAR-TRE-66ac689e-30
0.193
DRR-SHR-2ae5ab8c-8
0.189
MAR-TRE-92684b97-98
0.189
ALP-POS-3b848b35-3
0.187
LIL-FNM-c6f69784-1
0.187
BAR-COM-0f94fc3d-37
0.184
MAR-TRE-04c86cea-48
0.184
MAR-TRE-f6f5f473-67
0.182
MAR-TRE-ebcc4ad6-45
0.182
MAR-TRE-92684b97-24
0.180
MAD-UNK-2d4faae7-1
0.179
DRR-SHR-2ae5ab8c-9
0.179
BAR-COM-0f94fc3d-24
0.179
MAR-TRE-f5c2d31c-3
0.179
BAR-COM-5694a99d-2
0.179
UNK-UNK-2ede4078-37
0.178
MAR-TRE-9d18ae8c-69
0.178
MAR-TRE-4b834d9a-96
0.177
AAR-UNI-c25c2f1e-41
0.177
CLI-TLC-2cc8a57a-1
0.177
MAR-TRE-9d18ae8c-14
0.176
RED-RED-10c9212c-24
0.176
JAN-GHE-5a013bed-2
0.176
WAR-XCH-b0339bbe-19
0.175
MAR-TRE-f6f5f473-83
0.175
MAR-TRE-c8530538-16
0.175
MAR-TRE-9d18ae8c-35
0.174
MAR-TRE-04c86cea-71
0.173
ALP-POS-568d9d36-1
0.173
JAN-GHE-f4ca5a00-1
0.173
MAR-TRE-9d18ae8c-78
0.172
UNK-UNK-2ede4078-50
0.172
WIL-UNI-2a57d06c-18
0.172
AAR-POS-0daf6b7e-39
0.171
AUS-ARG-7cfdce8f-11
0.171
AHN-SAT-324b361c-1
0.170
DAR-DIA-8e329c92-1
0.170
UNK-UNK-2ede4078-100
0.170
JAN-GHE-1d98ec1c-10
0.169
MAR-TRE-799db12b-74
0.169
MAR-TRE-f5c2d31c-44
0.169
WAR-XCH-bdd24732-17
0.168
MAR-TRE-f6f5f473-39
0.168
MAR-TRE-66ac689e-24
0.168
UNK-UNK-2ede4078-83
0.168
BAR-COM-0f94fc3d-55
0.168
MAR-TRE-9d18ae8c-20
0.168
MAR-TRE-c8530538-26
0.168
JAN-GHE-f4ca5a00-9
0.167
BAR-COM-0f94fc3d-32
0.167
SAL-UNI-60119594-10
0.167
CHE-UNK-1fcbaeee-3
0.165
MAR-TRE-c8530538-50
0.165
DRR-SHR-2ae5ab8c-6
0.165
WIL-WAB-6ef46ddb-1
0.165
BAR-COM-0f94fc3d-10
0.165
PET-SGC-d5b502b1-1
0.165
GAB-REV-70cc3ca5-4
0.165
MAR-TRE-92684b97-2
0.165