Molecular Properties | |
SMILES: | N#CN(C(=O)C1CN(S(=O)(=O)CC2(C#N)CC2)Cc2ccc(Cl)cc21)c1cncc2ccccc12 |
MW: | 505.1 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 118.16 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
enamine
Filter86_cyanamide
too many cyano Groups (>1)
Hetero_hetero
Aminonitrile
PET-UNK-9b053684-3
1.000
PET-UNK-615ad708-6
1.000
PET-UNK-9b053684-6
1.000
MAT-POS-dc2604c4-1
0.651
MAT-POS-e194df51-1
0.651
MAT-POS-e194df51-2
0.651
PET-UNK-9b053684-1
0.649
PET-UNK-9b053684-4
0.649
MAT-POS-4223bc15-12
0.619
MAT-POS-5cd9ea36-5
0.609
MAT-POS-5cd9ea36-7
0.602
MAT-POS-bf364d7a-11
0.602
MAT-POS-bf364d7a-12
0.602
MAT-POS-5cd9ea36-6
0.593
MAT-POS-bf364d7a-9
0.593
MAT-POS-bf364d7a-10
0.593
JOH-UNI-7e3f498e-2
0.591
JOH-UNI-3267ef54-3
0.583
JOH-SUS-07b743f6-3
0.583
JOH-UNI-2440d4f3-1
0.581
JOH-UNI-2440d4f3-3
0.573
MAT-POS-dc2604c4-3
0.573
ALP-POS-07e1ed01-1
0.573
MAT-POS-777f5926-4
0.573
MAT-POS-777f5926-3
0.573
MAT-POS-81ae2990-9
0.569
MAT-POS-b4d6b7fc-9
0.569
ALP-POS-07e1ed01-2
0.568
XIA-UNK-284f966f-1
0.565
PET-UNK-94036022-1
0.565
PET-UNK-94036022-8
0.565
EDJ-MED-378a25ea-12
0.559
PET-UNK-9b053684-2
0.558
PET-UNK-9b053684-5
0.558
MAT-POS-81ae2990-7
0.556
MAT-POS-b4d6b7fc-8
0.556
EDJ-MED-378a25ea-10
0.555
EDJ-MED-7889e8da-4
0.553
EDJ-MED-be9e6f63-4
0.553
MAT-POS-78ab8081-6
0.545
PET-UNK-19e211a9-10
0.545
JOH-UNI-7e3f498e-1
0.544
PET-UNK-19e211a9-2
0.538
JOH-SUS-07b743f6-6
0.538
MAT-POS-bfd29aac-2
0.538
MAT-POS-81ae2990-8
0.538
ALE-ALC-3d276b90-1
0.538
MAT-POS-13080fc6-3
0.537
MAT-POS-78ab8081-4
0.537
EDJ-MED-378a25ea-2
0.537
PET-UNK-064639eb-2
0.536
PET-UNK-064639eb-5
0.536
BRU-THA-4b053743-1
0.534
ALP-POS-c56c1477-1
0.534
EDJ-MED-7889e8da-6
0.533
EDJ-MED-378a25ea-9
0.533
MAT-POS-5cd9ea36-8
0.533
PET-UNK-19e211a9-9
0.533
EDJ-MED-378a25ea-26
0.533
MAT-POS-2e8b2191-9
0.533
MAT-POS-e36d57d9-1
0.533
MAT-POS-97ec4bd1-2
0.533
EDJ-MED-378a25ea-8
0.532
JOH-UNI-3267ef54-1
0.530
JOH-UNI-2440d4f3-2
0.529
EDJ-MED-378a25ea-11
0.529
PET-UNK-19e211a9-6
0.528
EDJ-MED-378a25ea-16
0.528
EDJ-MED-378a25ea-14
0.528
PET-UNK-615ad708-5
0.526
PET-UNK-ff046148-1
0.526
PET-UNK-615ad708-2
0.526
JOH-UNI-7e3f498e-3
0.525
JOH-UNI-2440d4f3-4
0.525
JOH-UNI-3267ef54-2
0.525
EDJ-MED-be9e6f63-2
0.525
EDJ-MED-7889e8da-2
0.525
ALE-ALC-b4762a05-1
0.525
ALE-ALC-1b189c66-1
0.525
JOH-SUS-07b743f6-1
0.525
EDJ-MED-378a25ea-6
0.524
EDJ-MED-378a25ea-22
0.524
EDJ-MED-378a25ea-24
0.524
MAT-POS-78ab8081-2
0.523
XIA-UNK-c8ef6831-1
0.521
MAT-POS-dc2604c4-2
0.521
JOH-SUS-07b743f6-2
0.521
EDJ-MED-378a25ea-20
0.520
PET-UNK-c6bcc80b-1
0.520
PET-UNK-c6bcc80b-8
0.520
MAT-POS-5cd9ea36-9
0.517
MAT-POS-5cd9ea36-10
0.517
MAT-POS-dd1fff26-1
0.517
MAT-POS-dd1fff26-2
0.517
ALF-EVA-07677224-7
0.517
EDJ-MED-76744c27-4
0.517
PET-UNK-19e211a9-1
0.517
MAT-POS-bf364d7a-7
0.517
MAT-POS-bf364d7a-8
0.517
MAT-POS-bfd29aac-1
0.517