Molecular Properties | |
SMILES: | CCC1C(=O)N(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NC)C(=O)c1ccc(Cl)cc12 |
MW: | 490.14 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.68 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MIC-UNK-eb20c3e1-1
0.660
LUO-POS-868e8996-8
0.639
MAT-POS-1bed62cf-2
0.639
LUO-POS-868e8996-7
0.639
EDJ-MED-a6bd6de0-1
0.611
EDJ-MED-b0f3342b-1
0.611
PET-UNK-4c71d490-3
0.607
PET-UNK-4c71d490-7
0.607
PET-UNK-14142a25-1
0.602
MIK-ENA-37e0b697-1
0.602
MIK-ENA-794411b8-1
0.602
PET-UNK-14142a25-10
0.602
LUO-POS-9931618f-1
0.602
LUO-POS-9931618f-2
0.602
EDJ-MED-8bb691af-8
0.602
PET-UNK-4c71d490-1
0.602
PET-UNK-4c71d490-5
0.602
MIC-UNK-eb20c3e1-4
0.598
EDJ-MED-fed7ac0b-4
0.584
EDJ-MED-fd8ed875-1
0.584
PET-UNK-14142a25-2
0.580
PET-UNK-14142a25-11
0.580
EDJ-MED-fd8ed875-3
0.566
EDJ-MED-a12e3a20-2
0.566
PET-UNK-14142a25-8
0.565
PET-UNK-14142a25-17
0.565
EDJ-MED-8bb691af-7
0.558
EDJ-MED-fed7ac0b-1
0.557
EDJ-MED-8bb691af-9
0.548
PET-UNK-14142a25-4
0.547
PET-UNK-14142a25-13
0.547
EDJ-MED-fd8ed875-5
0.547
PET-UNK-14142a25-6
0.542
PET-UNK-14142a25-15
0.542
JOH-MSK-4bb3d434-3
0.535
12_-111-3e02a1cd-2
0.534
PET-UNK-77d5678a-3
0.534
JOH-MSK-4bb3d434-2
0.534
PET-UNK-77d5678a-6
0.534
LUO-POS-868e8996-6
0.518
ALP-POS-e266d783-1
0.518
EDJ-MED-43f8f7d6-5
0.518
MAT-POS-853c0ffa-2
0.518
LUO-POS-868e8996-5
0.518
EDJ-MED-4cb9dd84-1
0.513
EDJ-MED-33064c06-3
0.512
JOH-MSK-4bb3d434-1
0.509
VLA-UNK-61877630-6
0.508
VLA-UNK-8e615992-5
0.508
MIC-UNK-eb20c3e1-3
0.508
LUO-POS-8c3e556a-1
0.504
LUO-POS-8c3e556a-2
0.504
EDG-MED-b1ef7fe3-1
0.504
EDJ-MED-33064c06-18
0.504
EDJ-MED-3af0740c-5
0.500
EDJ-MED-33064c06-1
0.496
ALP-POS-c3a90b22-5
0.496
EDJ-MED-33064c06-5
0.492
EDJ-MED-33064c06-12
0.492
EDJ-MED-33064c06-2
0.492
VLA-UNK-61877630-3
0.492
VLA-UNK-8e615992-4
0.492
PET-UNK-626a1084-3
0.491
EDG-MED-b1ef7fe3-4
0.491
PET-UNK-626a1084-2
0.491
PET-UNK-626a1084-4
0.491
PET-UNK-626a1084-1
0.491
EDJ-MED-3af0740c-4
0.489
EDJ-MED-33064c06-6
0.488
ALP-POS-c3a90b22-11
0.488
EDJ-MED-33064c06-8
0.488
VLA-UNK-61877630-4
0.487
VLA-UNK-8e615992-1
0.487
JOH-MSK-1f2dff76-1
0.487
JOH-MSK-1f2dff76-2
0.487
MAT-POS-1bed62cf-3
0.487
EDJ-MED-33064c06-4
0.484
ALP-POS-c3a90b22-12
0.484
EDJ-MED-33064c06-9
0.484
EDJ-MED-dbcb2afb-1
0.484
EDJ-MED-33064c06-15
0.484
EDJ-MED-3af0740c-1
0.484
PET-UNK-7955f415-1
0.483
PET-UNK-7955f415-3
0.483
EDJ-MED-33064c06-14
0.480
PET-UNK-4c71d490-4
0.480
PET-UNK-4c71d490-8
0.480
LUO-POS-e1dab717-2
0.479
EDJ-MED-976a33d5-1
0.479
MAT-POS-576f7758-2
0.479
MAT-POS-e48723dc-1
0.479
MAT-POS-e48723dc-2
0.479
EDJ-MED-015fb6b4-1
0.479
EDJ-MED-33064c06-10
0.476
MAT-POS-38eb6498-6
0.475
PET-UNK-7955f415-2
0.475
EDJ-MED-24007d8a-1
0.475
PET-UNK-7955f415-4
0.475
PET-UNK-aa57768f-2
0.474
PET-UNK-aa57768f-3
0.474