Molecular Properties | |
SMILES: | CC1(C)c2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)CN1S(=O)(=O)CC1(C#N)CC1 |
MW: | 508.13 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.16 |
cLogP: | 4.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-2e8b2191-1
0.747
MAT-POS-dc2604c4-1
0.654
MAT-POS-e194df51-1
0.654
MAT-POS-e194df51-2
0.654
ALP-POS-c56c1477-3
0.633
MAT-POS-4223bc15-12
0.622
MAT-POS-2e8b2191-7
0.619
MAT-POS-5cd9ea36-5
0.611
MAT-POS-bf364d7a-11
0.603
MAT-POS-bf364d7a-12
0.603
MAT-POS-5cd9ea36-7
0.603
TET-ENA-df1c4375-1
0.602
MAT-POS-acfe5bae-4
0.602
JOH-SUS-07b743f6-3
0.598
PET-UNK-2337ec19-1
0.598
PET-UNK-2337ec19-2
0.598
PET-UNK-2337ec19-3
0.598
PET-UNK-2337ec19-4
0.598
ALP-POS-07e1ed01-2
0.596
MAT-POS-5cd9ea36-6
0.595
MAT-POS-bf364d7a-9
0.595
MAT-POS-bf364d7a-10
0.595
XIA-UNK-284f966f-1
0.595
PET-UNK-94036022-1
0.595
PET-UNK-94036022-8
0.595
ALP-POS-d054b76b-1
0.588
ALP-POS-07e1ed01-1
0.588
MAT-POS-777f5926-4
0.588
MAT-POS-dc2604c4-3
0.588
MAT-POS-777f5926-3
0.588
JOH-SUS-07b743f6-1
0.579
MAT-POS-dd3ad2b5-4
0.577
MAT-POS-24589f88-2
0.577
MAT-POS-24589f88-3
0.577
EDJ-MED-036ae2e9-12
0.571
MAT-POS-5cd9ea36-10
0.571
MAT-POS-dd1fff26-1
0.571
MAT-POS-dd1fff26-2
0.571
JOH-SUS-07b743f6-6
0.566
BRU-THA-4b053743-1
0.562
ALP-POS-c56c1477-1
0.562
ALP-POS-c56c1477-2
0.561
MAT-POS-4223bc15-6
0.561
MAR-UCB-6ab2ec87-6
0.559
PET-UNK-ff046148-1
0.554
PET-UNK-d61f3ea6-3
0.554
PET-UNK-615ad708-5
0.554
PET-UNK-615ad708-2
0.554
DAR-DIA-5e50e037-1
0.553
BRU-THA-d60fe444-1
0.550
MAT-POS-5cd9ea36-24
0.550
XIA-UNK-c8ef6831-1
0.548
MAT-POS-5cd9ea36-8
0.547
JOH-SUS-07b743f6-2
0.547
MAT-POS-5cd9ea36-9
0.544
ALF-EVA-07677224-7
0.543
ALF-EVA-07677224-9
0.543
EDJ-MED-76744c27-4
0.543
MAT-POS-bf364d7a-7
0.543
MAT-POS-bf364d7a-8
0.543
RAL-THA-ee48ba5f-5
0.541
PET-UNK-d61f3ea6-2
0.541
ALF-EVA-07677224-3
0.540
MAT-POS-5cd9ea36-1
0.539
MAT-POS-bf364d7a-5
0.539
PET-UNK-af70882d-1
0.539
EDJ-MED-76744c27-1
0.539
MAT-POS-bf364d7a-6
0.539
MAR-UCB-6ab2ec87-7
0.538
EDJ-MED-4fff0a85-3
0.538
MAT-POS-bf364d7a-1
0.538
MAT-POS-bf364d7a-2
0.538
DAR-DIA-0f2f46c9-6
0.538
DAR-DIA-0f2f46c9-5
0.538
DAR-DIA-0f2f46c9-4
0.538
EDJ-MED-0047eae5-1
0.537
PET-UNK-162c14b2-1
0.537
MAT-POS-61f37a1a-12
0.537
MAT-POS-dc2604c4-4
0.535
EDJ-MED-76744c27-6
0.535
MAT-POS-5cd9ea36-18
0.534
ALP-POS-395d3f9b-1
0.534
MAT-POS-dc2604c4-2
0.534
MAT-POS-4223bc15-1
0.532
PET-UNK-af70882d-4
0.531
PET-UNK-af70882d-3
0.531
EDJ-MED-7f6e5b75-1
0.531
EDJ-MED-76744c27-5
0.531
EDJ-MED-4fff0a85-2
0.530
BEN-DND-f2e727cd-6
0.528
MAT-POS-dd3ad2b5-1
0.528
MAT-POS-4223bc15-27
0.527
MAT-POS-4223bc15-23
0.527
MAT-POS-4223bc15-2
0.527
MAT-POS-8293a91a-4
0.527
MAT-POS-8293a91a-5
0.527
MAT-POS-4223bc15-5
0.527
ALP-POS-d054b76b-3
0.527
MAT-POS-5cd9ea36-17
0.527
PET-UNK-af70882d-2
0.526