MMsINC Database Search


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MMsINC code: MMs00594730

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(N(C)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9547 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.686	SlogP: 2.5532	Reactive groups: 0

Topological Properties
Globularity: 0.00570273	Sterimol/B1: 2.37548	Sterimol/B2: 2.51557	Sterimol/B3: 2.728
Sterimol/B4: 5.26654	Sterimol/L: 15.8635

Surface and Volume Properties
Accessible surface: 483.621	Positive charged surface: 305.923	Negative charged surface: 177.698	Volume: 256.25
Hydrophobic surface: 414.458	Hydrophilic surface: 69.163

Pharmacophoric Properties
Hydrogen bond donors: 0	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.