Molecular Properties | |
SMILES: | N#CN(C(=O)C1CN(S(=O)(=O)CC2(C#N)CC2)C(=O)c2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 519.08 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 135.23 |
cLogP: | 3.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
enamine
Filter86_cyanamide
too many cyano Groups (>1)
Hetero_hetero
Aminonitrile
PET-UNK-9b053684-4
1.000
PET-UNK-9b053684-2
0.806
PET-UNK-9b053684-5
0.806
ALP-POS-c56c1477-3
0.651
PET-UNK-9b053684-3
0.649
PET-UNK-615ad708-3
0.649
PET-UNK-615ad708-6
0.649
PET-UNK-9b053684-6
0.649
PET-UNK-f860268d-4
0.630
PET-UNK-f860268d-1
0.630
MAT-POS-acfe5bae-4
0.619
TET-ENA-df1c4375-1
0.619
PET-UNK-f860268d-3
0.618
PET-UNK-f860268d-6
0.618
PET-UNK-064639eb-2
0.555
PET-UNK-064639eb-5
0.555
EDJ-MED-827e7cb4-9
0.528
PET-UNK-8f269638-1
0.513
PET-UNK-8f269638-2
0.513
EDJ-MED-968bafd9-1
0.496
PET-UNK-064639eb-1
0.491
PET-UNK-064639eb-4
0.491
PET-UNK-064639eb-3
0.491
PET-UNK-064639eb-6
0.491
MAT-POS-acfe5bae-3
0.449
PET-UNK-fe71d26d-2
0.449
PET-UNK-fe71d26d-4
0.449
EDJ-MED-0047eae5-1
0.448
EDJ-MED-0047eae5-2
0.445
MAT-POS-2e8b2191-6
0.440
PET-UNK-fe71d26d-3
0.435
PET-UNK-fe71d26d-1
0.435
EDJ-MED-9f4ac58c-2
0.433
MAT-POS-dc2604c4-1
0.432
MAT-POS-e194df51-1
0.432
MAT-POS-e194df51-2
0.432
EDJ-MED-036ae2e9-12
0.424
PET-UNK-4d432d33-6
0.424
PET-UNK-4d432d33-2
0.424
EDJ-MED-fed7ac0b-3
0.420
DAR-DIA-5ff57136-10
0.418
MIK-ENA-fe164c2a-1
0.415
MAT-POS-4223bc15-12
0.411
EDJ-MED-cbbe2dbb-2
0.410
MAT-POS-5cd9ea36-5
0.405
PET-UNK-2337ec19-1
0.403
PET-UNK-2337ec19-3
0.403
MAT-POS-5cd9ea36-7
0.403
MAT-POS-bf364d7a-11
0.403
MAT-POS-bf364d7a-12
0.403
EDJ-MED-eb111c00-4
0.402
EDJ-MED-968bafd9-2
0.402
EDJ-MED-eb111c00-3
0.400
ALP-POS-c3a90b22-8
0.397
PET-UNK-4d432d33-1
0.397
PET-UNK-4d432d33-5
0.397
PET-UNK-5ecb6237-1
0.396
MAT-POS-bf364d7a-9
0.396
MAT-POS-bf364d7a-10
0.396
MAT-POS-5cd9ea36-6
0.396
MIC-UNK-482af05e-4
0.393
EDJ-MED-eb111c00-1
0.393
MIC-UNK-91acba05-2
0.393
JOH-SUS-07b743f6-3
0.392
PET-UNK-2337ec19-2
0.392
PET-UNK-2337ec19-4
0.392
PET-UNK-f860268d-2
0.392
PET-UNK-f860268d-5
0.392
MIK-ENA-be04d1d4-1
0.391
MIK-ENA-e143773d-1
0.391
MIK-ENA-edcfce18-1
0.391
MIK-ENA-0547b12c-1
0.391
MAT-POS-50a80394-2
0.391
ALP-POS-b3e0acc5-1
0.389
EDJ-MED-487c5e9f-12
0.388
XIA-UNK-e3342273-1
0.388
ALP-POS-07e1ed01-1
0.386
MAT-POS-777f5926-4
0.386
MAT-POS-777f5926-3
0.386
MAT-POS-dc2604c4-3
0.386
EDJ-MED-43f8f7d6-8
0.384
EDJ-MED-12c4873b-8
0.384
RAL-THA-8f106089-1
0.384
RAL-THA-8f106089-2
0.384
RAL-THA-5e0a6f1a-1
0.384
JOH-UNI-2440d4f3-1
0.383
ALP-POS-07e1ed01-2
0.383
JOH-UNI-3267ef54-3
0.382
EDJ-MED-827e7cb4-2
0.381
ALP-POS-bb8a3193-4
0.381
LUO-POS-e1dab717-15
0.381
EDJ-MED-c99b2211-1
0.380
EDJ-MED-015fb6b4-2
0.379
MAT-POS-a54ce14d-2
0.379
MAT-POS-a54ce14d-3
0.379
MIC-UNK-482af05e-3
0.379
MAT-POS-acfe5bae-2
0.379
JOH-UNI-7e3f498e-2
0.379
PET-UNK-6da3dcd8-9
0.379
ALP-POS-d054b76b-1
0.378