Molecular Properties | |
SMILES: | CC(C)NCCOc1ccc2cncc(N3CCC4(CN(S(=O)(=O)CC5(C#N)CC5)Cc5ccc(Cl)cc54)C3=O)c2c1 |
MW: | 607.2 |
Fraction sp3: | 0.45 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 115.63 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-22 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Aliphatic long chain
Hetero_hetero
EDJ-MED-4138fde9-1
0.878
MAT-POS-1a788f51-4
0.842
MAT-POS-1a788f51-2
0.822
MAT-POS-1a788f51-1
0.821
LUO-POS-8484f2d3-1
0.808
MAT-POS-853c0ffa-9
0.808
MAT-POS-38eb6498-1
0.808
MIK-ENA-8063e9dc-1
0.808
LUO-POS-8484f2d3-2
0.808
MIK-ENA-7066949b-1
0.808
EDJ-MED-4138fde9-2
0.806
EDJ-MED-468565e0-1
0.802
MAT-POS-40ad851a-4
0.802
EDJ-MED-468565e0-5
0.802
MAT-POS-40ad851a-3
0.795
MAT-POS-40ad851a-5
0.789
MAT-POS-40ad851a-2
0.789
EDJ-MED-468565e0-4
0.782
MIK-ENA-bb7b6957-1
0.778
EDJ-MED-b6c6ee2b-3
0.778
MIK-ENA-60569a44-1
0.778
EDJ-MED-ee81482e-3
0.762
EDJ-MED-5cd3920d-1
0.758
EDJ-MED-468565e0-2
0.756
EDJ-MED-468565e0-3
0.750
EDJ-MED-ee81482e-2
0.748
EDJ-MED-5cd3920d-2
0.748
EDJ-MED-ee81482e-1
0.746
MAT-POS-40ad851a-1
0.744
LUO-POS-d1147590-1
0.744
EDJ-MED-b6c6ee2b-4
0.730
EDJ-MED-ee81482e-4
0.711
MAT-POS-853c0ffa-13
0.700
MAT-POS-853c0ffa-11
0.685
MAT-POS-853c0ffa-19
0.685
MAT-POS-38eb6498-2
0.683
MAT-POS-853c0ffa-10
0.674
MIK-ENA-5d9157e9-1
0.667
EDJ-MED-8bb691af-6
0.667
MIK-ENA-5d9157e9-2
0.667
ALP-POS-ecbed2ba-4
0.667
PET-UNK-c6bcc80b-4
0.643
PET-UNK-c6bcc80b-11
0.643
ALP-POS-ecbed2ba-8
0.642
ALP-POS-ecbed2ba-15
0.632
EDJ-MED-ee81482e-5
0.627
MAT-POS-853c0ffa-15
0.617
MAT-POS-853c0ffa-6
0.608
MAT-POS-1d5ab790-1
0.603
MAT-POS-853c0ffa-5
0.603
EDJ-MED-4138fde9-7
0.602
ALP-POS-ecbed2ba-11
0.600
EDJ-MED-4138fde9-3
0.598
ALP-POS-ecbed2ba-2
0.595
ALP-POS-133e7cd9-2
0.586
PET-UNK-df7eb4e6-3
0.586
PET-UNK-df7eb4e6-7
0.586
PET-UNK-94036022-9
0.579
PET-UNK-94036022-2
0.579
MAT-POS-853c0ffa-21
0.578
MAT-POS-853c0ffa-14
0.577
MAT-POS-853c0ffa-20
0.561
MAT-POS-853c0ffa-12
0.560
EDJ-MED-705e09b8-2
0.558
EDJ-MED-4138fde9-4
0.556
ALP-POS-ecbed2ba-3
0.551
EDJ-MED-3707c4bc-1
0.551
LUO-POS-e1dab717-7
0.551
ALP-POS-ecbed2ba-6
0.546
VLA-UNK-61877630-8
0.545
ALP-POS-ecbed2ba-22
0.545
VLA-UNK-e334495f-2
0.545
EDJ-MED-accc2c4d-1
0.543
ALP-POS-ecbed2ba-13
0.542
PET-UNK-143b31ee-1
0.541
PET-UNK-143b31ee-4
0.541
PET-UNK-94036022-3
0.539
PET-UNK-94036022-10
0.539
EDJ-MED-accc2c4d-3
0.539
EDJ-MED-3707c4bc-2
0.539
EDJ-MED-b6c6ee2b-1
0.536
MAT-POS-38eb6498-3
0.536
EDJ-MED-5cd3920d-5
0.534
ALP-POS-ecbed2ba-1
0.530
MIK-ENA-26b331e0-1
0.524
VLA-UNK-61877630-10
0.523
EDJ-MED-5cd3920d-6
0.523
MIK-ENA-30ee93be-1
0.517
ALP-POS-ecbed2ba-5
0.511
MAT-POS-853c0ffa-8
0.507
EDJ-MED-accc2c4d-4
0.504
MAT-POS-853c0ffa-18
0.504
ALP-POS-c3a90b22-7
0.504
MAT-POS-853c0ffa-22
0.504
LUO-POS-e1dab717-5
0.504
EDJ-MED-4138fde9-5
0.504
MAT-POS-1bed62cf-1
0.500
EDJ-MED-b6c6ee2b-2
0.500
LUO-POS-868e8996-9
0.500
LUO-POS-868e8996-10
0.500