Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(OCCNCC(F)(F)F)cc45)C3=O)C2)CC1 |
MW: | 647.16 |
Fraction sp3: | 0.43 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 115.63 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Aliphatic long chain
high halogen content (>3)
Hetero_hetero
EDJ-MED-4138fde9-1
0.833
MAT-POS-1a788f51-4
0.815
MAT-POS-1a788f51-3
0.806
MAT-POS-1a788f51-1
0.793
MAT-POS-1a788f51-2
0.780
EDJ-MED-468565e0-5
0.776
MAT-POS-40ad851a-4
0.776
MIK-ENA-8063e9dc-1
0.768
MAT-POS-853c0ffa-9
0.768
MAT-POS-38eb6498-1
0.768
LUO-POS-8484f2d3-2
0.768
MIK-ENA-7066949b-1
0.768
LUO-POS-8484f2d3-1
0.768
EDJ-MED-468565e0-1
0.762
EDJ-MED-468565e0-4
0.758
MAT-POS-40ad851a-3
0.756
MAT-POS-40ad851a-2
0.750
MAT-POS-40ad851a-5
0.750
MIK-ENA-bb7b6957-1
0.738
EDJ-MED-b6c6ee2b-3
0.738
MIK-ENA-60569a44-1
0.738
EDJ-MED-5cd3920d-1
0.734
EDJ-MED-468565e0-2
0.733
EDJ-MED-468565e0-3
0.727
EDJ-MED-ee81482e-3
0.712
EDJ-MED-ee81482e-1
0.709
EDJ-MED-b6c6ee2b-4
0.706
MAT-POS-853c0ffa-13
0.705
EDJ-MED-ee81482e-2
0.698
MAT-POS-40ad851a-1
0.696
LUO-POS-d1147590-1
0.695
EDJ-MED-4138fde9-4
0.692
EDJ-MED-5cd3920d-2
0.683
EDJ-MED-ee81482e-4
0.677
MAT-POS-853c0ffa-11
0.664
MIK-ENA-26b331e0-1
0.652
MAT-POS-853c0ffa-19
0.652
MAT-POS-38eb6498-2
0.649
ALP-POS-ecbed2ba-4
0.645
EDJ-MED-8bb691af-6
0.645
MIK-ENA-5d9157e9-1
0.645
MIK-ENA-5d9157e9-2
0.645
MAT-POS-853c0ffa-10
0.642
PET-UNK-c6bcc80b-4
0.636
PET-UNK-c6bcc80b-11
0.636
EDJ-MED-3af0740c-3
0.627
ALP-POS-ecbed2ba-8
0.622
EDJ-MED-ee81482e-5
0.609
MAT-POS-853c0ffa-6
0.602
ALP-POS-ecbed2ba-15
0.600
MAT-POS-853c0ffa-15
0.586
MAT-POS-853c0ffa-5
0.585
MAT-POS-1d5ab790-1
0.585
ALP-POS-ecbed2ba-11
0.582
ALP-POS-ecbed2ba-2
0.578
EDJ-MED-4138fde9-6
0.576
MAT-POS-853c0ffa-21
0.573
MAT-POS-853c0ffa-14
0.571
EDJ-MED-4138fde9-7
0.571
EDJ-MED-3af0740c-2
0.569
EDJ-MED-4138fde9-3
0.569
PET-UNK-df7eb4e6-3
0.568
PET-UNK-df7eb4e6-7
0.568
PET-UNK-94036022-9
0.562
PET-UNK-94036022-2
0.562
ALP-POS-133e7cd9-2
0.556
MAT-POS-853c0ffa-20
0.544
MAT-POS-853c0ffa-12
0.543
EDJ-MED-5cd3920d-6
0.541
VLA-UNK-61877630-10
0.541
VLA-UNK-61877630-8
0.541
VLA-UNK-e334495f-2
0.541
EDJ-MED-705e09b8-2
0.530
ALP-POS-ecbed2ba-22
0.529
EDJ-MED-accc2c4d-1
0.526
PET-UNK-143b31ee-1
0.526
PET-UNK-143b31ee-4
0.526
LUO-POS-e1dab717-7
0.524
ALP-POS-ecbed2ba-3
0.523
PET-UNK-94036022-3
0.523
PET-UNK-94036022-10
0.523
EDJ-MED-accc2c4d-3
0.523
EDJ-MED-5cd3920d-5
0.519
ALP-POS-ecbed2ba-6
0.519
ALP-POS-ecbed2ba-13
0.515
EDJ-MED-b6c6ee2b-1
0.510
MAT-POS-38eb6498-3
0.510
ALP-POS-ecbed2ba-1
0.504
EDJ-MED-3707c4bc-1
0.500
EDJ-MED-3707c4bc-2
0.500
MIK-ENA-30ee93be-1
0.493
MAT-POS-853c0ffa-8
0.493
VLA-UNK-61877630-7
0.489
VLA-UNK-e334495f-1
0.489
MAT-POS-853c0ffa-18
0.489
ALP-POS-c3a90b22-7
0.489
EDJ-MED-accc2c4d-4
0.489
LUO-POS-868e8996-10
0.486
MAT-POS-1bed62cf-1
0.486
ALP-POS-ecbed2ba-17
0.486