MMsINC Database Search


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MMsINC code: MMs03239163

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1c2c(cccc2NC)C(=O)c2c1cccc2NC

InChI:

InChI=1/C16H14N2O2/c1-17-11-7-3-5-9-13(11)15(19)10-6-4-8-12(18-2)14(10)16(9)20/h3-8,17-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5817 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.47792	SlogP: 2.5454	Reactive groups: 0

Topological Properties
Globularity: 0.0115216	Sterimol/B1: 2.42163	Sterimol/B2: 2.56913	Sterimol/B3: 3.85374
Sterimol/B4: 5.96892	Sterimol/L: 13.9925

Surface and Volume Properties
Accessible surface: 473.603	Positive charged surface: 333.542	Negative charged surface: 140.061	Volume: 255
Hydrophobic surface: 395.034	Hydrophilic surface: 78.569

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.