Molecular Properties | |
SMILES: | CC1(C)CC2(CN(S(=O)(=O)CC3(C#N)CC3)Cc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 534.15 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
LUO-POS-e1dab717-15
0.783
ALP-POS-ecbed2ba-4
0.667
EDJ-MED-8bb691af-6
0.667
MIK-ENA-5d9157e9-1
0.667
MIK-ENA-5d9157e9-2
0.667
ALP-POS-133e7cd9-2
0.664
LUO-POS-868e8996-9
0.661
MAT-POS-1bed62cf-1
0.661
LUO-POS-868e8996-10
0.661
ALP-POS-ecbed2ba-8
0.640
PET-UNK-143b31ee-1
0.638
PET-UNK-143b31ee-2
0.638
PET-UNK-143b31ee-4
0.638
PET-UNK-143b31ee-5
0.638
ALP-POS-ecbed2ba-15
0.629
LUO-POS-f7b1afe6-1
0.619
ALP-POS-01611061-2
0.619
LUO-POS-e1dab717-18
0.613
ALP-POS-01611061-1
0.612
MAT-POS-50a80394-8
0.612
LUO-POS-f7b1afe6-2
0.612
ALP-POS-ecbed2ba-11
0.608
EDJ-MED-4138fde9-7
0.597
ALP-POS-ecbed2ba-2
0.590
ALP-POS-01611061-3
0.590
MAT-POS-50a80394-1
0.588
MIC-UNK-eb20c3e1-3
0.588
MIK-ENA-99706bb8-1
0.588
MIK-ENA-17e27e9c-1
0.588
MIK-ENA-623fe2a6-1
0.588
MIK-ENA-2c0ad173-1
0.588
EDJ-MED-7e491f08-1
0.581
EDJ-MED-a12e3a20-1
0.581
LUO-POS-b5068a05-1
0.581
MAT-POS-50a80394-3
0.579
MAT-POS-b3212acf-1
0.579
LUO-POS-eaf50f21-1
0.575
MIK-ENA-be04d1d4-1
0.575
MIK-ENA-e143773d-1
0.575
MIK-ENA-edcfce18-1
0.575
MIK-ENA-0547b12c-1
0.575
MAT-POS-50a80394-2
0.575
MIC-UNK-7b6fe9e8-2
0.575
MAT-POS-c2d406ed-2
0.575
PET-UNK-94036022-2
0.573
PET-UNK-94036022-4
0.573
PET-UNK-94036022-9
0.573
PET-UNK-94036022-11
0.573
PET-UNK-94036022-13
0.571
LUO-POS-5857a86a-2
0.571
MIK-ENA-f156d06e-1
0.571
PET-UNK-94036022-6
0.571
MAT-POS-c2d406ed-1
0.571
MAT-POS-b3212acf-2
0.570
MIC-UNK-257d841f-1
0.570
MAT-POS-c2d406ed-4
0.570
EDG-MED-b6bce001-2
0.570
LUO-POS-eaf50f21-4
0.569
EDG-MED-00af8776-1
0.567
EDG-MED-0c930815-1
0.567
EDG-MED-b6bce001-1
0.567
PET-UNK-143b31ee-3
0.566
PET-UNK-143b31ee-6
0.566
LUO-POS-5857a86a-1
0.566
EDJ-MED-cbbe2dbb-1
0.566
MIC-UNK-7b6fe9e8-1
0.566
EDJ-MED-8bb691af-2
0.564
MIC-UNK-7b6fe9e8-3
0.561
EDJ-MED-b6c6ee2b-4
0.559
EDJ-MED-8bb691af-5
0.558
MAT-POS-c2d406ed-3
0.557
LUO-POS-eaf50f21-2
0.556
MIC-UNK-257d841f-2
0.556
LUO-POS-eaf50f21-5
0.556
ALP-POS-ecbed2ba-3
0.556
MAT-POS-853c0ffa-13
0.549
ALP-POS-ecbed2ba-22
0.549
MIC-UNK-c85ea37c-3
0.547
LUO-POS-b5068a05-2
0.540
MAT-POS-38eb6498-2
0.539
LUO-POS-eaf50f21-3
0.539
VLA-UNK-61877630-8
0.537
VLA-UNK-e334495f-2
0.537
MAT-POS-1d5ab790-1
0.533
ALP-POS-ecbed2ba-1
0.533
MAT-POS-853c0ffa-5
0.533
EDJ-MED-5cd3920d-2
0.532
MIK-ENA-60569a44-1
0.532
MIK-ENA-bb7b6957-1
0.532
EDJ-MED-b6c6ee2b-3
0.532
MIC-UNK-c85ea37c-1
0.531
PET-UNK-94036022-3
0.529
PET-UNK-94036022-10
0.529
EDJ-MED-accc2c4d-3
0.529
MAT-POS-853c0ffa-11
0.528
EDJ-MED-5cd3920d-6
0.525
VLA-UNK-61877630-10
0.525
MAT-POS-853c0ffa-6
0.525
ALP-POS-ecbed2ba-6
0.525
MAT-POS-853c0ffa-15
0.524