Molecular Properties | |
SMILES: | Nc1cccc(C(=O)/C=C/c2cnc3ccccc3n2)c1 |
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-ae159ed1-12
0.708
DRV-DNY-ae159ed1-10
0.708
DRV-DNY-ae159ed1-13
0.662
DRV-DNY-ae159ed1-1
0.651
DRV-DNY-ae159ed1-9
0.648
DRV-DNY-ae159ed1-16
0.612
DRV-DNY-ae159ed1-11
0.606
DRV-DNY-ae159ed1-18
0.606
DRV-DNY-ae159ed1-15
0.597
DRV-DNY-ae159ed1-2
0.588
DRV-DNY-ae159ed1-3
0.588
DRV-DNY-ae159ed1-4
0.588
DRV-DNY-ae159ed1-6
0.588
DRV-DNY-ae159ed1-5
0.588
DRV-DNY-ae159ed1-17
0.574
DRV-DNY-ae159ed1-7
0.571
DRV-DNY-ae159ed1-20
0.557
DRV-DNY-ae159ed1-8
0.556
DRV-DNY-ae159ed1-19
0.494
JON-UIO-56032f80-1
0.263
DRV-DNY-5c7d8ee8-1
0.253
MAR-TRE-66ac689e-39
0.253
MAR-TRE-8a25d817-13
0.241
MAR-TRE-aca67d11-18
0.241
RED-RED-10c9212c-30
0.235
RED-RED-10c9212c-24
0.233
AAR-UNI-c25c2f1e-86
0.230
DRV-DNY-5c7d8ee8-2
0.225
DAV-IMP-59dd6621-11
0.222
DAV-IMP-59dd6621-12
0.222
GAB-REV-df64cf17-21
0.221
MAR-TRE-aca67d11-28
0.217
DAV-IMP-59dd6621-10
0.217
LIL-FNM-97d58b1d-1
0.213
MAR-TRE-f6f5f473-33
0.213
MAR-LAB-ff9967db-7
0.208
MAR-TRE-92684b97-65
0.204
ALP-POS-3b848b35-3
0.204
BER-UNK-c44c38d5-3
0.202
DRV-DNY-3e405af9-9
0.200
DAR-DIA-8e329c92-1
0.198
UNK-UNK-2ede4078-61
0.198
MAR-TRE-92684b97-98
0.194
MAT-POS-162a9720-7
0.192
LIL-FNM-c6f69784-1
0.191
DRR-SHR-9a662592-1
0.189
JOO-IND-b13e14cc-1
0.189
WIL-UNI-2a57d06c-18
0.188
MAR-TRE-f5c2d31c-91
0.188
JON-UIO-d041ac75-4
0.187
MAR-TRE-f6f5f473-67
0.186
MAR-TRE-f6f5f473-39
0.186
AHN-SAT-02ef6d10-4
0.185
BAR-COM-0f94fc3d-55
0.184
BAR-COM-0f94fc3d-24
0.184
MAR-TRE-9d18ae8c-22
0.184
JON-UIO-d041ac75-1
0.183
MAR-TRE-a78003aa-35
0.183
JAN-GHE-f4ca5a00-9
0.183
UNK-UNK-2ede4078-37
0.183
AAR-UNI-c25c2f1e-41
0.182
CLI-TLC-2cc8a57a-1
0.182
MAR-TRE-4b834d9a-96
0.182
UNK-UNK-2ede4078-86
0.182
MAT-POS-ea426761-100
0.181
EMI-TUK-a58865cc-3
0.181
JAN-GHE-5a013bed-2
0.181
AHN-SAT-02ef6d10-3
0.181
BOG-INS-15b226b5-1
0.180
MAR-TRE-2fd8122f-89
0.180
AAR-UNI-c25c2f1e-83
0.179
AAR-UNI-c25c2f1e-57
0.179
AAR-UNI-c25c2f1e-76
0.178
CHE-UNK-1fcbaeee-4
0.178
MAR-TRE-9d18ae8c-78
0.178
MAR-TRE-a3327163-28
0.178
JON-UIO-56032f80-4
0.178
AAR-POS-fca48359-2
0.178
MAT-POS-78e1d523-1
0.178
LUO-POS-868e8996-13
0.178
LUO-POS-868e8996-14
0.178
MIC-UNK-91acba05-3
0.178
MAT-POS-66a736cf-1
0.178
RAL-THA-05e671eb-3
0.178
AHN-SAT-02ef6d10-1
0.177
ROD-LAS-d5538ff9-9
0.177
RAL-THA-2d450e86-13
0.177
LON-WEI-af038623-2
0.176
EDJ-MED-39aed21e-1
0.176
SAD-SAT-f0a2747f-4
0.176
UNK-UNK-2ede4078-75
0.176
PET-UNK-b870596d-2
0.176
MAK-UNK-10dfa458-8
0.176
MAK-UNK-6ca90168-24
0.176
ALP-POS-ddb41b15-6
0.175
MAT-POS-ea426761-102
0.175
UNK-CYC-68f84b31-39
0.175
CHR-SOS-7098f804-12
0.174
UNK-UNK-2ede4078-80
0.174
UNK-UNK-2ede4078-100
0.174