Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5cc(F)cc(Cl)c45)C3=O)C2)CC1 |
MW: | 547.09 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.58 |
cLogP: | 5.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-8
0.820
MAT-POS-853c0ffa-6
0.810
MAT-POS-853c0ffa-17
0.800
ALP-POS-ecbed2ba-3
0.718
MAT-POS-853c0ffa-21
0.717
MAT-POS-1d5ab790-1
0.655
MAT-POS-853c0ffa-5
0.655
MAT-POS-853c0ffa-7
0.655
MAT-POS-853c0ffa-22
0.649
MAT-POS-853c0ffa-20
0.646
MAT-POS-853c0ffa-19
0.644
ALP-POS-ecbed2ba-1
0.625
ALP-POS-ecbed2ba-6
0.602
PET-UNK-94036022-9
0.598
PET-UNK-94036022-2
0.598
MAT-POS-853c0ffa-14
0.595
PET-UNK-94036022-3
0.595
PET-UNK-94036022-10
0.595
ALP-POS-ecbed2ba-4
0.593
MIK-ENA-5d9157e9-1
0.593
EDJ-MED-8bb691af-6
0.593
MIK-ENA-5d9157e9-2
0.593
VLA-UNK-61877630-10
0.588
EDJ-MED-5cd3920d-5
0.588
EDJ-MED-5cd3920d-6
0.588
MAT-POS-853c0ffa-13
0.586
ALP-POS-ecbed2ba-8
0.583
EDJ-MED-4138fde9-7
0.581
EDJ-MED-3707c4bc-1
0.580
ALP-POS-ecbed2ba-15
0.573
EDJ-MED-b6c6ee2b-4
0.570
EDJ-MED-3707c4bc-2
0.566
EDJ-MED-7587a9ee-3
0.565
ALP-POS-ecbed2ba-22
0.559
MAT-POS-853c0ffa-10
0.556
ALP-POS-ecbed2ba-11
0.554
EDJ-MED-5cd3920d-2
0.554
EDJ-MED-accc2c4d-3
0.553
LUO-POS-8484f2d3-1
0.551
MAT-POS-853c0ffa-9
0.551
MAT-POS-38eb6498-1
0.551
MIK-ENA-8063e9dc-1
0.551
LUO-POS-8484f2d3-2
0.551
MIK-ENA-7066949b-1
0.551
ALP-POS-ecbed2ba-2
0.549
PET-UNK-c6bcc80b-4
0.548
PET-UNK-c6bcc80b-11
0.548
MAT-POS-40ad851a-4
0.547
MAT-POS-853c0ffa-15
0.545
MAT-POS-853c0ffa-16
0.545
EDJ-MED-4138fde9-8
0.543
EDJ-MED-accc2c4d-1
0.543
ALP-POS-ecbed2ba-13
0.542
MIK-ENA-bb7b6957-1
0.541
EDJ-MED-b6c6ee2b-3
0.541
MIK-ENA-60569a44-1
0.541
MAT-POS-853c0ffa-12
0.537
MAT-POS-853c0ffa-11
0.537
MAT-POS-38eb6498-2
0.536
ALP-POS-ecbed2ba-5
0.534
EDJ-MED-4138fde9-9
0.529
EDJ-MED-5cd3920d-1
0.528
MAT-POS-40ad851a-2
0.527
PET-UNK-df7eb4e6-3
0.525
PET-UNK-df7eb4e6-7
0.525
MAT-POS-1a788f51-2
0.523
EDJ-MED-468565e0-5
0.523
LUO-POS-ed2cfb03-2
0.522
MAT-POS-1a788f51-1
0.520
EDJ-MED-4138fde9-1
0.519
MAT-POS-40ad851a-3
0.519
EDJ-MED-ee81482e-3
0.519
ALP-POS-ecbed2ba-20
0.513
EDJ-MED-accc2c4d-4
0.513
ALP-POS-ecbed2ba-18
0.513
ALP-POS-133e7cd9-2
0.512
EDJ-MED-ee81482e-2
0.512
EDJ-MED-468565e0-1
0.511
MAT-POS-1a788f51-4
0.511
EDJ-MED-468565e0-4
0.511
MAT-POS-b4d6b7fc-6
0.508
MAT-POS-1d5ab790-2
0.508
EDJ-MED-705e09b8-2
0.508
EDJ-MED-ee81482e-1
0.508
LUO-POS-ed2cfb03-1
0.504
ALP-POS-ecbed2ba-10
0.504
MAT-POS-1a788f51-3
0.504
MAT-POS-40ad851a-5
0.504
ALP-POS-ecbed2ba-19
0.500
LUO-POS-d1147590-1
0.500
EDJ-MED-ee81482e-5
0.500
VLA-UNK-61877630-8
0.496
VLA-UNK-e334495f-2
0.496
ALP-POS-ecbed2ba-17
0.496
EDJ-MED-468565e0-2
0.493
EDJ-MED-468565e0-3
0.489
EDJ-MED-4138fde9-2
0.489
ALP-POS-ecbed2ba-21
0.488
ALP-POS-ecbed2ba-9
0.488
EDJ-MED-accc2c4d-2
0.488