Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3[C@@]3(CC(=O)N(c4cncc5sccc45)C3=O)C2)CC1 |
MW: | 526.05 |
Fraction sp3: | 0.33 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 111.44 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Hetero_hetero
PET-UNK-df7eb4e6-8
1.000
MAT-POS-1bed62cf-1
0.720
LUO-POS-868e8996-10
0.720
LUO-POS-868e8996-9
0.720
PET-UNK-df7eb4e6-3
0.706
PET-UNK-df7eb4e6-7
0.706
PET-UNK-94036022-4
0.625
PET-UNK-94036022-11
0.625
PET-UNK-df7eb4e6-2
0.593
PET-UNK-df7eb4e6-6
0.593
PET-UNK-143b31ee-1
0.567
PET-UNK-143b31ee-4
0.567
PET-UNK-94036022-5
0.565
PET-UNK-94036022-12
0.565
PET-UNK-143b31ee-2
0.554
PET-UNK-143b31ee-5
0.554
EDJ-MED-b6c6ee2b-4
0.517
ALP-POS-ecbed2ba-4
0.512
EDJ-MED-8bb691af-6
0.512
MIK-ENA-5d9157e9-1
0.512
MIK-ENA-5d9157e9-2
0.512
MAT-POS-853c0ffa-6
0.508
PET-UNK-143b31ee-6
0.500
PET-UNK-143b31ee-3
0.500
MAT-POS-853c0ffa-5
0.492
MAT-POS-1d5ab790-1
0.492
PET-UNK-94036022-6
0.492
PET-UNK-94036022-13
0.492
ALP-POS-133e7cd9-2
0.488
MAT-POS-853c0ffa-15
0.484
LUO-POS-e1dab717-15
0.484
MIC-UNK-eb20c3e1-3
0.484
MAT-POS-853c0ffa-13
0.484
EDJ-MED-705e09b8-2
0.484
EDJ-MED-5cd3920d-2
0.481
EDJ-MED-b6c6ee2b-3
0.481
MIK-ENA-60569a44-1
0.481
MIK-ENA-bb7b6957-1
0.481
LUO-POS-e1dab717-16
0.480
ALP-POS-ecbed2ba-8
0.480
MAT-POS-38eb6498-2
0.477
MAT-POS-853c0ffa-11
0.477
ALP-POS-ecbed2ba-15
0.472
MAT-POS-c2d406ed-1
0.468
MIK-ENA-f156d06e-1
0.468
PET-UNK-c6bcc80b-11
0.466
PET-UNK-c6bcc80b-4
0.466
MAT-POS-1a788f51-1
0.463
MIC-UNK-7b6fe9e8-2
0.461
MAT-POS-c2d406ed-2
0.461
LUO-POS-eaf50f21-1
0.461
EDJ-MED-5cd3920d-1
0.459
ALP-POS-ecbed2ba-11
0.458
EDG-MED-b6bce001-2
0.457
MAT-POS-c2d406ed-3
0.457
MAT-POS-c2d406ed-4
0.457
ALP-POS-ecbed2ba-2
0.455
LUO-POS-b5068a05-2
0.455
EDJ-MED-cbbe2dbb-1
0.454
MIC-UNK-7b6fe9e8-1
0.454
EDJ-MED-ee81482e-1
0.452
ALP-POS-01611061-2
0.448
LUO-POS-f7b1afe6-1
0.448
LUO-POS-eaf50f21-4
0.447
LUO-POS-eaf50f21-2
0.447
MAT-POS-1a788f51-4
0.447
EDJ-MED-4138fde9-7
0.446
EDJ-MED-ee81482e-2
0.445
MAT-POS-1a788f51-2
0.445
PET-UNK-94036022-2
0.444
LUO-POS-eaf50f21-3
0.444
PET-UNK-94036022-9
0.444
EDJ-MED-ee81482e-3
0.444
EDJ-MED-4138fde9-1
0.442
LUO-POS-8484f2d3-2
0.439
MIK-ENA-7066949b-1
0.439
MAT-POS-853c0ffa-9
0.439
MAT-POS-38eb6498-1
0.439
LUO-POS-8484f2d3-1
0.439
MIK-ENA-8063e9dc-1
0.439
ALP-POS-01611061-3
0.438
LUO-POS-eaf50f21-5
0.437
LUO-POS-b5068a05-1
0.437
PET-UNK-df7eb4e6-1
0.437
PET-UNK-df7eb4e6-5
0.437
EDJ-MED-468565e0-1
0.436
EDJ-MED-ee81482e-5
0.436
MAT-POS-40ad851a-4
0.436
EDJ-MED-468565e0-5
0.436
LUO-POS-d1147590-1
0.436
EDJ-MED-8bb691af-5
0.434
LUO-POS-5857a86a-2
0.434
MAT-POS-89bd6af1-1
0.433
ALP-POS-c56c1477-4
0.433
PET-UNK-6da3dcd8-10
0.433
EDJ-MED-ee81482e-4
0.433
MAT-POS-40ad851a-3
0.433
EDG-MED-b6bce001-1
0.431
EDG-MED-00af8776-1
0.431
EDG-MED-0c930815-1
0.431