Molecular Properties | |
SMILES: | O=C(Nc1cccc(Cl)c1)C(c1cccnc1)N1C(=O)C=CC1=O |
MW: | 341.754 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 79.37 |
cLogP: | 2.3398 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
maleimide_etc
phthalimide
Activated double bonds (2)
Filter79_maleimide
vinyl michael acceptor1
JAN-GHE-d851b096-9
0.466
BEN-DND-61647d40-20
0.453
JAN-GHE-d851b096-4
0.451
JOR-UNI-2fc98d0b-7
0.444
WAR-XCH-eb7b662f-7
0.444
JAN-GHE-83b26c96-19
0.444
DAR-DIA-23aa0b97-14
0.444
BEN-DND-61647d40-19
0.400
ADA-UNI-f8e79267-11
0.379
JAG-UCB-cedd89ab-8
0.375
TRY-UNI-714a760b-12
0.375
JAN-GHE-d851b096-3
0.368
ADA-UNI-f8e79267-8
0.359
ADA-UNI-f8e79267-10
0.356
EDJ-MED-49816e9b-1
0.354
JOH-UNI-c7afdb96-5
0.349
CHR-SOS-7098f804-12
0.346
BEN-DND-61647d40-15
0.345
MAR-TRE-2fd8122f-88
0.344
SEA-TRI-2dd971ce-1
0.341
BEN-DND-61647d40-16
0.341
NAU-LAT-4ce8bf23-3
0.340
ADA-UNI-f8e79267-7
0.340
DAR-DIA-23aa0b97-13
0.338
EDG-MED-0da5ad92-2
0.338
KEI-TRE-d5e2018a-19
0.333
BAR-COM-4e090d3a-68
0.330
SEA-TRI-5a552082-1
0.330
TRY-UNI-714a760b-9
0.329
JAN-GHE-d851b096-8
0.326
DAR-DIA-23aa0b97-12
0.326
MAR-TRE-3e4e6814-83
0.324
KEI-TRE-d5e2018a-16
0.323
TRY-UNI-9f475305-11
0.322
JAN-GHE-83b26c96-9
0.322
EDG-MED-0da5ad92-5
0.322
MAK-UNK-2c1752f0-2
0.319
JOR-UNI-2fc98d0b-2
0.319
SEA-TRI-6388eba6-1
0.318
RYA-UNI-c3f66fb2-1
0.317
WAR-XCH-eb7b662f-5
0.317
MIC-UNK-66895286-2
0.317
JAN-GHE-83b26c96-2
0.315
MIC-UNK-66895286-5
0.315
JAG-UCB-cedd89ab-7
0.315
MIC-UNK-66895286-4
0.314
SAM-UNK-2684b532-7
0.314
RYA-UNI-f4a878f6-1
0.314
JAG-UCB-ef2c0e8e-10
0.313
NAU-LAT-4ce8bf23-1
0.313
NAU-LAT-a5c7d7cb-3
0.312
VLA-UCB-05e51b3f-2
0.312
PET-UNK-ac320b15-3
0.311
PET-UNK-ac320b15-4
0.311
SAM-UNK-2684b532-6
0.311
PET-UNK-8922bd3c-1
0.311
JAN-LUN-8953ce76-6
0.311
JAN-LUN-3e0f9c09-1
0.311
TRY-UNI-714a760b-18
0.310
TRY-UNI-2eddb1ff-5
0.310
JAN-GHE-83b26c96-5
0.310
TRY-UNI-2eddb1ff-4
0.310
JAN-GHE-83b26c96-4
0.310
MIC-UNK-66895286-3
0.310
MAK-UNK-f203cb68-3
0.309
RAL-MED-9a5eb9cb-14
0.309
WAR-XCH-eb7b662f-3
0.308
JOR-UNI-2fc98d0b-5
0.306
JOR-UNI-2fc98d0b-11
0.306
JAG-UCB-252a2f58-1
0.306
WAR-XCH-eb7b662f-4
0.305
SAM-UNK-2684b532-1
0.304
JAN-GHE-83b26c96-8
0.304
JOR-UNI-2fc98d0b-8
0.304
DAR-DIA-23aa0b97-15
0.304
BEN-DND-61647d40-11
0.303
MAR-TRE-3e4e6814-93
0.302
NAU-LAT-a5c7d7cb-6
0.302
LON-WEI-adc59df6-46
0.301
MAT-POS-3b92565d-14
0.300
MAT-POS-bfb445d4-1
0.300
BEN-DND-02317c5c-12
0.300
WAR-XCH-eb7b662f-6
0.300
JAN-GHE-83b26c96-10
0.300
BEN-DND-61647d40-12
0.300
JOR-UNI-2fc98d0b-16
0.299
NIM-UNI-bb9030bf-16
0.299
LON-WEI-adc59df6-5
0.298
RYA-UNI-9b5114df-1
0.298
MAT-POS-1e5f28a7-1
0.297
JAG-UCB-cedd89ab-6
0.297
SAM-UNK-2684b532-5
0.297
MAR-TRE-2fd8122f-90
0.297
NIM-NMI-8bb27a2b-27
0.296
SAD-SAT-135344c3-8
0.296
LON-WEI-b8d98729-11
0.295
LON-WEI-adc59df6-12
0.295
LON-WEI-adc59df6-15
0.295
LON-WEI-b8d98729-24
0.294
MIC-UNK-8686cf1d-9
0.294