Molecular Properties | |
SMILES: | O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2cnccc12 |
MW: | 342.03 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 5.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
vinyl michael acceptor1
phenylethene
UNK-UNK-2ede4078-23
0.512
ALF-EVA-a24cc7ce-1
0.441
UNK-UNK-2ede4078-35
0.432
UNK-UNK-2ede4078-30
0.400
UNK-UNK-2ede4078-32
0.398
UNK-UNK-2ede4078-51
0.396
UNK-UNK-2ede4078-50
0.387
UNK-UNK-2ede4078-22
0.379
LON-WEI-af038623-9
0.375
ALF-EVA-a24cc7ce-5
0.375
UNK-UNK-2ede4078-60
0.369
UNK-UNK-2ede4078-13
0.364
UNK-UNK-2ede4078-56
0.357
MAT-POS-bb423b95-1
0.356
PET-UNK-b78139fa-9
0.330
PET-UNK-2c6614b6-9
0.320
PET-UNK-dd44aeb6-2
0.319
RAL-THA-2d450e86-24
0.319
VLA-UNK-82501c2c-1
0.315
BEN-DND-61647d40-15
0.312
BEN-DND-4f474d93-3
0.311
ALP-POS-ce760d3f-2
0.311
BEN-DND-4f474d93-1
0.311
PET-UNK-b566c0b0-5
0.306
PET-UNK-1e13ef09-5
0.305
UNK-UNK-2ede4078-38
0.303
JUL-TUD-06b2044f-84
0.303
VLA-UNK-56836b69-4
0.301
JUL-TUD-06b2044f-45
0.295
JUL-TUD-06b2044f-47
0.295
JUL-TUD-06b2044f-51
0.293
PET-UNK-b78139fa-18
0.292
PET-UNK-f4e47ebd-6
0.290
CHR-SOS-7098f804-21
0.287
MAT-POS-78e1d523-1
0.286
PET-UNK-f4e47ebd-10
0.284
JOH-UNI-ee5ed7c8-6
0.282
JOH-UNI-3fc3434e-6
0.282
ALP-POS-ddb41b15-6
0.281
SAM-UNK-2684b532-13
0.281
ALP-POS-95b75b4d-8
0.281
DAR-DIA-0d514e7d-3
0.280
ADA-UCB-dc2b944c-15
0.280
PET-UNK-4b4f2bb7-9
0.279
ALP-UNI-8d415491-3
0.279
PET-UNK-dd44aeb6-1
0.278
RAL-THA-2d450e86-25
0.278
MAT-POS-f7918075-5
0.278
JUL-TUD-06b2044f-46
0.278
LON-WEI-af038623-3
0.277
MAT-POS-89e65850-3
0.276
BEN-DND-34fc7f90-1
0.276
BEN-DND-34fc7f90-7
0.276
ALF-EVA-a24cc7ce-8
0.276
MIC-UNK-ea4eb352-4
0.275
ADA-UCB-6c2cb422-1
0.274
DAR-DIA-0d514e7d-36
0.274
BEN-DND-f2e727cd-2
0.274
ALP-POS-f13221e1-2
0.273
PET-UNK-f4e47ebd-24
0.272
RYA-UNI-14580791-1
0.272
RAL-THA-2d450e86-34
0.271
MIC-UNK-ea4eb352-12
0.270
VLA-UNK-9a7dc93f-7
0.270
RAL-THA-2d450e86-21
0.270
RAL-THA-2d450e86-2
0.269
BEN-DND-34fc7f90-4
0.269
MIC-UNK-df9dcda8-3
0.267
UNK-UNK-2ede4078-16
0.267
CHR-SOS-7098f804-10
0.267
PET-UNK-022eab87-1
0.267
PET-UNK-407a74a5-7
0.266
PET-UNK-372a2f82-1
0.266
ADA-UCB-dc2b944c-17
0.265
PET-UNK-f4e47ebd-21
0.265
ALP-POS-f13221e1-3
0.265
NAU-LAT-2fed8305-1
0.265
RAL-THA-2d450e86-27
0.265
PET-UNK-dd44aeb6-3
0.265
BEN-DND-d1eb1f41-4
0.265
RAL-THA-2d450e86-28
0.265
ALP-POS-95b75b4d-6
0.264
MIC-UNK-ea4eb352-8
0.264
PET-UNK-f4e47ebd-14
0.263
PET-UNK-3c72d439-1
0.263
RAL-THA-2d450e86-15
0.263
RAL-THA-2d450e86-6
0.263
EDJ-MED-cf4b0d25-4
0.262
VLA-UNK-9a7dc93f-6
0.262
MIC-UNK-91acba05-3
0.262
MAT-POS-66a736cf-1
0.262
LUO-POS-868e8996-14
0.262
BEN-DND-f2e727cd-3
0.262
MAT-POS-fb82b63d-1
0.262
RAL-THA-05e671eb-3
0.262
ALP-UNI-ba800595-1
0.262
LUO-POS-868e8996-13
0.262
MAK-UNK-6ca90168-24
0.261
RAL-THA-2d450e86-33
0.260
NAU-LAT-2fed8305-2
0.260