MMsINC Database Search


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MMsINC code: MMs00584889

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C(C)c1ccc(NC(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C15H14N2O2/c1-11(18)12-7-9-14(10-8-12)17-15(19)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4933 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.56432	SlogP: 3.5332	Reactive groups: 0

Topological Properties
Globularity: 0.0359605	Sterimol/B1: 2.72141	Sterimol/B2: 3.36689	Sterimol/B3: 3.4495
Sterimol/B4: 4.17649	Sterimol/L: 16.7885

Surface and Volume Properties
Accessible surface: 499.219	Positive charged surface: 287.293	Negative charged surface: 211.926	Volume: 247.25
Hydrophobic surface: 394.747	Hydrophilic surface: 104.472

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.