Molecular Properties | |
SMILES: | CNC(=O)CN1CC2(C(=O)N(c3cncc4ccccc34)CCN2C)c2cc(Cl)ccc2C1=O |
MW: | 477.16 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.85 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-14142a25-17
1.000
PET-UNK-14142a25-9
0.708
PET-UNK-14142a25-18
0.708
MIK-ENA-37e0b697-1
0.680
MIK-ENA-794411b8-1
0.680
PET-UNK-14142a25-1
0.680
LUO-POS-9931618f-1
0.680
LUO-POS-9931618f-2
0.680
PET-UNK-14142a25-10
0.680
EDJ-MED-8bb691af-8
0.680
PET-UNK-14142a25-11
0.654
PET-UNK-14142a25-2
0.654
PET-UNK-14142a25-4
0.645
PET-UNK-14142a25-13
0.645
EDJ-MED-a12e3a20-2
0.639
PET-UNK-14142a25-6
0.625
PET-UNK-14142a25-15
0.625
EDJ-MED-a6bd6de0-1
0.625
EDJ-MED-b0f3342b-1
0.625
EDJ-MED-8bb691af-9
0.604
EDJ-MED-fed7ac0b-4
0.598
EDJ-MED-fd8ed875-5
0.588
EDJ-MED-8bb691af-7
0.586
LUO-POS-868e8996-7
0.580
LUO-POS-868e8996-8
0.580
MAT-POS-1bed62cf-2
0.580
JOH-MSK-4bb3d434-1
0.577
ALP-POS-c3a90b22-5
0.575
EDJ-MED-fed7ac0b-1
0.570
EDJ-MED-fd8ed875-1
0.570
EDJ-MED-33064c06-5
0.569
EDJ-MED-fd8ed875-3
0.566
PET-UNK-4c71d490-3
0.565
PET-UNK-4c71d490-7
0.565
MIC-UNK-eb20c3e1-2
0.565
EDJ-MED-33064c06-3
0.564
EDJ-MED-33064c06-6
0.563
PET-UNK-4c71d490-5
0.560
VLA-UNK-8e615992-5
0.560
EDJ-MED-33064c06-1
0.560
PET-UNK-4c71d490-1
0.560
VLA-UNK-61877630-6
0.560
EDG-MED-b1ef7fe3-1
0.559
LUO-POS-8c3e556a-1
0.559
LUO-POS-8c3e556a-2
0.559
EDJ-MED-33064c06-2
0.557
EDJ-MED-33064c06-18
0.557
EDJ-MED-33064c06-12
0.556
VLA-UNK-61877630-4
0.553
VLA-UNK-8e615992-1
0.553
EDJ-MED-4cb9dd84-1
0.552
EDJ-MED-33064c06-8
0.552
VLA-UNK-61877630-5
0.548
VLA-UNK-8e615992-2
0.548
EDJ-MED-3af0740c-1
0.547
EDJ-MED-33064c06-15
0.547
EDJ-MED-33064c06-4
0.546
EDJ-MED-33064c06-17
0.546
EDG-MED-b1ef7fe3-4
0.545
EDG-MED-b1ef7fe3-3
0.543
EDJ-MED-33064c06-14
0.542
MAT-POS-38eb6498-6
0.538
ALP-POS-c3a90b22-11
0.538
EDJ-MED-33064c06-10
0.538
EDJ-MED-3af0740c-5
0.537
EDJ-MED-b6c6ee2b-6
0.534
EDG-MED-b1ef7fe3-2
0.534
EDJ-MED-33064c06-9
0.533
ALP-POS-c3a90b22-12
0.533
ALP-POS-afe0272e-2
0.531
EDJ-MED-976a33d5-1
0.530
MAT-POS-576f7758-2
0.530
MAT-POS-e48723dc-2
0.530
VLA-UNK-8e615992-4
0.530
LUO-POS-e1dab717-2
0.530
MAT-POS-e48723dc-1
0.530
VLA-UNK-61877630-3
0.530
PET-UNK-aa57768f-8
0.527
PET-UNK-aa57768f-9
0.527
PET-UNK-aa57768f-2
0.527
PET-UNK-aa57768f-3
0.527
JOH-MSK-4bb3d434-4
0.526
EDJ-MED-0d144977-3
0.525
EDJ-MED-cc48ee33-7
0.525
EDJ-MED-0d144977-2
0.521
ALP-POS-c3a90b22-1
0.521
EDJ-MED-98c0a822-3
0.521
MAT-POS-c7726e07-5
0.518
MAT-POS-c7726e07-6
0.518
EDJ-MED-8bb691af-4
0.518
LUO-POS-868e8996-11
0.518
LUO-POS-868e8996-12
0.518
MAT-POS-ddfe83c6-1
0.513
EDJ-MED-7d88f880-1
0.512
ALP-POS-c3a90b22-3
0.512
EDJ-MED-98c0a822-4
0.512
EDJ-MED-cc48ee33-2
0.512
EDJ-MED-40e596c8-4
0.512
EDJ-MED-33064c06-13
0.512
EDJ-MED-3af0740c-4
0.512