Molecular Properties | |
SMILES: | CN(CCC#N)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cccc(Cl)c23)C1 |
MW: | 517.07 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 106.4 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-5cd9ea36-21
0.688
MAT-POS-81ae2990-7
0.679
MAT-POS-b4d6b7fc-8
0.679
MAT-POS-81ae2990-1
0.670
MAT-POS-81ae2990-4
0.658
EDJ-MED-ede277f6-2
0.655
EDJ-MED-ede277f6-1
0.655
EDJ-MED-ede277f6-11
0.652
EDJ-MED-ede277f6-5
0.611
EDJ-MED-0186a59b-4
0.595
EDJ-MED-d1555997-2
0.579
MAT-POS-5cd9ea36-23
0.574
MAT-POS-5cd9ea36-18
0.569
ROB-CAM-4c532489-1
0.569
MAT-POS-5cd9ea36-16
0.561
EDJ-MED-ede277f6-9
0.560
MAT-POS-5cd9ea36-22
0.555
EDJ-MED-d1555997-1
0.555
EDJ-MED-e18764cb-3
0.533
MAT-POS-af1eef35-2
0.533
MAT-POS-51135489-1
0.533
MAT-POS-81ae2990-8
0.533
MAT-POS-81ae2990-2
0.525
MAT-POS-4223bc15-2
0.522
BEN-DND-32596b04-4
0.521
MAT-POS-81ae2990-5
0.516
MAT-POS-13080fc6-1
0.508
PET-UNK-b1ef24dc-29
0.504
MAT-POS-5cd9ea36-19
0.500
MAT-POS-5cd9ea36-20
0.500
PET-UNK-b1ef24dc-30
0.500
EDJ-MED-841e0cf0-6
0.500
EDJ-MED-670ad2ee-7
0.500
EDJ-MED-670ad2ee-8
0.500
MAT-POS-dc2604c4-4
0.492
EDJ-MED-76744c27-6
0.492
PET-UNK-b38839dc-11
0.492
MAT-POS-5cd9ea36-24
0.492
EDJ-MED-0186a59b-8
0.487
MIK-ENA-5d9157e9-3
0.487
MIK-ENA-5d9157e9-4
0.487
MAT-POS-13080fc6-3
0.484
PET-UNK-b38839dc-10
0.479
PET-UNK-b38839dc-9
0.479
ALF-EVA-0e90125c-4
0.475
PET-UNK-af70882d-3
0.475
MAT-POS-4223bc15-6
0.474
PET-UNK-e274cad4-8
0.474
JOH-SUS-07b743f6-6
0.472
MAT-POS-5cd9ea36-8
0.468
PET-UNK-b1ef24dc-31
0.466
PET-UNK-7f7e354d-5
0.466
EDJ-MED-ee742daa-4
0.466
ALP-POS-07e1ed01-2
0.465
MIC-UNK-51049f1a-4
0.463
PET-UNK-b1ef24dc-32
0.462
MAT-POS-24589f88-3
0.461
MAT-POS-24589f88-2
0.461
MAT-POS-dd3ad2b5-4
0.461
BEN-DND-a7517465-3
0.460
PET-UNK-af70882d-1
0.460
MAT-POS-bf364d7a-5
0.460
MAT-POS-5cd9ea36-1
0.460
EDJ-MED-76744c27-1
0.460
MAT-POS-bf364d7a-6
0.460
PET-UNK-19e211a9-10
0.457
MAT-POS-78ab8081-6
0.457
EDJ-MED-1981ceba-5
0.455
BEN-DND-32596b04-2
0.455
PET-UNK-19e211a9-8
0.454
EDJ-MED-378a25ea-7
0.454
MAT-POS-22373164-1
0.454
BRU-THA-d60fe444-1
0.454
PET-UNK-e274cad4-3
0.453
BEN-DND-32596b04-6
0.452
MAT-POS-bfd29aac-1
0.452
PET-UNK-19e211a9-1
0.452
EDJ-MED-f9b78f78-3
0.452
EDJ-MED-4fff0a85-2
0.452
PET-UNK-ff046148-4
0.452
ANN-CHE-e1757302-1
0.452
ANN-CHE-e1757302-2
0.452
EDJ-MED-4f4dd660-6
0.451
PET-UNK-af70882d-4
0.451
EDJ-MED-76744c27-5
0.451
EDJ-MED-7f6e5b75-1
0.451
MAT-POS-4223bc15-1
0.449
PET-UNK-f4e47ebd-10
0.448
MAT-POS-e194df51-1
0.448
MAT-POS-dc2604c4-1
0.448
EDJ-MED-4fff0a85-4
0.448
MAT-POS-e194df51-2
0.448
MAT-POS-bf364d7a-4
0.448
MAT-POS-bf364d7a-3
0.448
EDJ-MED-7889e8da-4
0.447
EDJ-MED-be9e6f63-4
0.447
EDJ-MED-1981ceba-4
0.447
PET-UNK-d61f3ea6-3
0.447
BEN-DND-fa51d92c-15
0.447
EDJ-MED-378a25ea-4
0.447