Molecular Properties | |
SMILES: | Nc1ccc(C(=O)/C=C/c2cnc3ccccc3n2)cc1 |
MW: | 275.311 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.87 |
cLogP: | 3.1081 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Filter44_michael_acceptor2
aniline
Ketone
Dye 9
vinyl michael acceptor1
analine
AAR-POS-d2a4d1df-21
DRV-DNY-ae159ed1-11
0.759
DRV-DNY-ae159ed1-2
0.733
DRV-DNY-ae159ed1-4
0.733
DRV-DNY-ae159ed1-5
0.733
DRV-DNY-ae159ed1-6
0.733
DRV-DNY-ae159ed1-3
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-ae159ed1-14
0.662
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-ae159ed1-20
0.591
DRV-DNY-ae159ed1-17
0.561
DRV-DNY-ae159ed1-9
0.548
DRV-DNY-ae159ed1-19
0.500
DRV-DNY-5c7d8ee8-1
0.282
MAR-TRE-66ac689e-39
0.280
MAR-TRE-8a25d817-13
0.268
DAV-IMP-59dd6621-12
0.254
MAR-TRE-aca67d11-18
0.253
MAR-TRE-1c920f6f-89
0.246
LIL-FNM-97d58b1d-1
0.238
DAV-IMP-59dd6621-11
0.234
RED-RED-10c9212c-30
0.232
MAR-LAB-ff9967db-7
0.216
DAV-IMP-59dd6621-10
0.212
MAT-POS-ea426761-100
0.212
MAR-TRE-f6f5f473-33
0.210
DRV-DNY-5c7d8ee8-2
0.207
GAB-REV-df64cf17-21
0.204
MAR-TRE-92684b97-98
0.202
AAR-POS-fca48359-2
0.200
MAR-TRE-aca67d11-28
0.200
MAR-TRE-92684b97-65
0.200
MAR-TRE-0fda4e82-80
0.200
MAR-TRE-f5c2d31c-50
0.198
MAR-TRE-f5c2d31c-91
0.196
DAR-DIA-8e329c92-1
0.194
MAR-TRE-f6f5f473-39
0.194
DAV-IMP-59dd6621-30
0.190
MAR-TRE-4b834d9a-96
0.189
RED-RED-10c9212c-24
0.189
RUT-UNI-630c5802-23
0.187
ALP-POS-3b848b35-3
0.187
MAR-TRE-aca67d11-49
0.187
LIL-FNM-c6f69784-1
0.187
MAR-TRE-9d18ae8c-78
0.186
AAR-UNI-c25c2f1e-76
0.186
DRV-DNY-3e405af9-9
0.185
RAM-SYN-2a37ce6c-9
0.183
MAR-TRE-f6f5f473-67
0.182
JAN-GHE-1d98ec1c-10
0.182
AAR-POS-0daf6b7e-42
0.182
MAR-TRE-ebcc4ad6-45
0.182
GAB-REV-70cc3ca5-9
0.181
MAR-TRE-92684b97-24
0.180
MAR-TRE-f5c2d31c-3
0.179
UNK-UNK-2ede4078-37
0.178
AAR-UNI-c25c2f1e-86
0.178
MAR-TRE-9d18ae8c-69
0.178
MAR-TRE-f5c2d31c-45
0.177
CLI-TLC-2cc8a57a-1
0.177
SID-ELM-b654bfa2-1
0.176
RUT-UNI-630c5802-25
0.176
MAR-TRE-2fd8122f-58
0.176
WAR-XCH-b0339bbe-19
0.175
KRI-MAR-d2e3ef86-17
0.174
MAR-TRE-04c86cea-71
0.173
BAR-COM-0f94fc3d-37
0.173
DAV-IMP-59dd6621-9
0.173
JOH-UNI-abfda500-6
0.172
AAR-POS-dddeddbf-1
0.172
ANN-UNI-98d2bf15-1
0.172
MAR-TRE-a3327163-28
0.172
JOO-IND-b13e14cc-1
0.172
MAR-TRE-9d18ae8c-12
0.172
BAR-COM-0f94fc3d-52
0.172
MAR-TRE-0fda4e82-5
0.172
MAR-TRE-f5c2d31c-5
0.172
WIL-UNI-2a57d06c-18
0.172
AAR-POS-0daf6b7e-39
0.171
EDJ-MED-39aed21e-1
0.171
MAK-UNK-10dfa458-8
0.170
MAR-TRE-04c86cea-48
0.170
MAR-TRE-87acfbcc-51
0.170
AHN-SAT-324b361c-1
0.170
BAR-COM-4e090d3a-21
0.170
UNK-UNK-2ede4078-100
0.170
BAR-COM-655b106d-5
0.170
MAR-TRE-85681e92-74
0.169
WIL-UNI-2a57d06c-23
0.168
MAR-TRE-9d18ae8c-20
0.168
BAR-COM-0f94fc3d-55
0.168
UNK-UNK-2ede4078-83
0.168
BAR-COM-655b106d-1
0.168
MAR-TRE-a9136c7b-23
0.168