Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3cc(F)c(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CC1 |
MW: | 524.11 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 94.37 |
cLogP: | 4.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-8bb691af-6
VLA-UNK-e334495f-2
1.000
ALP-POS-ecbed2ba-4
0.786
EDJ-MED-8bb691af-6
0.786
MIK-ENA-5d9157e9-1
0.786
MIK-ENA-5d9157e9-2
0.786
ALP-POS-ecbed2ba-8
0.738
ALP-POS-ecbed2ba-15
0.725
VLA-UNK-61877630-7
0.700
VLA-UNK-e334495f-1
0.700
ALP-POS-ecbed2ba-11
0.699
ALP-POS-ecbed2ba-2
0.693
EDJ-MED-4138fde9-7
0.688
PET-UNK-94036022-2
0.679
PET-UNK-94036022-9
0.679
ALP-POS-133e7cd9-2
0.670
ALP-POS-ecbed2ba-22
0.649
PET-UNK-94036022-10
0.645
PET-UNK-94036022-3
0.645
MAT-POS-853c0ffa-13
0.635
EDJ-MED-b6c6ee2b-4
0.634
EDJ-MED-accc2c4d-3
0.631
ALP-POS-ecbed2ba-3
0.631
VLA-UNK-5d8210f0-2
0.625
EDJ-MED-5cd3920d-5
0.623
EDJ-MED-5cd3920d-6
0.623
VLA-UNK-61877630-10
0.623
EDJ-MED-accc2c4d-1
0.619
ALP-POS-c3a90b22-7
0.614
MAT-POS-853c0ffa-6
0.609
ALP-POS-ecbed2ba-6
0.609
ALP-POS-ecbed2ba-1
0.603
ALP-POS-ecbed2ba-13
0.603
EDJ-MED-5cd3920d-2
0.600
ALP-POS-01611061-2
0.596
LUO-POS-f7b1afe6-1
0.596
MAT-POS-853c0ffa-15
0.592
MAT-POS-40ad851a-4
0.591
EDJ-MED-3707c4bc-2
0.588
EDJ-MED-accc2c4d-4
0.588
EDJ-MED-3707c4bc-1
0.588
EDJ-MED-b6c6ee2b-3
0.587
MIK-ENA-60569a44-1
0.587
MIK-ENA-bb7b6957-1
0.587
EDJ-MED-7e491f08-1
0.586
EDJ-MED-5cd3920d-1
0.585
MAT-POS-853c0ffa-9
0.583
MAT-POS-38eb6498-1
0.583
MIK-ENA-8063e9dc-1
0.583
LUO-POS-8484f2d3-1
0.583
LUO-POS-8484f2d3-2
0.583
MIK-ENA-7066949b-1
0.583
MAT-POS-853c0ffa-11
0.582
ALP-POS-01611061-3
0.581
MAT-POS-1bed62cf-1
0.581
EDJ-MED-9f4ac58c-2
0.581
LUO-POS-868e8996-10
0.581
ALP-POS-ecbed2ba-5
0.581
LUO-POS-868e8996-9
0.581
MAT-POS-38eb6498-2
0.581
EDJ-MED-4138fde9-8
0.578
MAT-POS-1d5ab790-1
0.576
MAT-POS-853c0ffa-5
0.576
MAT-POS-1a788f51-1
0.576
EDJ-MED-ee81482e-1
0.576
PET-UNK-143b31ee-1
0.575
PET-UNK-143b31ee-4
0.575
EDJ-MED-7587a9ee-3
0.573
ALP-POS-ecbed2ba-9
0.573
LUO-POS-ed2cfb03-2
0.571
MAT-POS-40ad851a-2
0.569
PET-UNK-c6bcc80b-4
0.568
PET-UNK-c6bcc80b-11
0.568
ALP-POS-ecbed2ba-17
0.568
EDJ-MED-ee81482e-2
0.567
MAT-POS-1a788f51-2
0.567
ALP-POS-ecbed2ba-16
0.567
EDJ-MED-468565e0-5
0.566
EDJ-MED-468565e0-4
0.565
MAT-POS-50a80394-8
0.563
LUO-POS-f7b1afe6-2
0.563
ALP-POS-01611061-1
0.563
EDJ-MED-4138fde9-9
0.563
ALP-POS-ecbed2ba-20
0.562
EDJ-MED-4138fde9-1
0.562
EDJ-MED-ee81482e-4
0.562
MAT-POS-40ad851a-3
0.562
EDJ-MED-a12e3a20-1
0.559
EDJ-MED-accc2c4d-2
0.559
PET-UNK-df7eb4e6-7
0.558
PET-UNK-df7eb4e6-3
0.558
EDJ-MED-ee81482e-5
0.554
EDJ-MED-468565e0-1
0.554
LUO-POS-d1147590-1
0.554
LUO-POS-e1dab717-15
0.554
ALP-POS-c3a90b22-8
0.550
PET-UNK-143b31ee-2
0.549
PET-UNK-143b31ee-5
0.549
EDJ-MED-ee81482e-3
0.549
ALP-POS-ecbed2ba-18
0.547
MAT-POS-1a788f51-3
0.545