MMsINC Database Search


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MMsINC code: MMs00654473

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1cc(C)c(NC(=O)c2cccnc2)cc1

InChI:

InChI=1/C14H14N2O2/c1-10-8-12(18-2)5-6-13(10)16-14(17)11-4-3-7-15-9-11/h3-9H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9205 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -2.30758	SlogP: 2.65092	Reactive groups: 0

Topological Properties
Globularity: 0.0159486	Sterimol/B1: 2.0971	Sterimol/B2: 2.194	Sterimol/B3: 2.84223
Sterimol/B4: 6.72096	Sterimol/L: 16.0804

Surface and Volume Properties
Accessible surface: 471.749	Positive charged surface: 326.484	Negative charged surface: 145.265	Volume: 237.125
Hydrophobic surface: 416.177	Hydrophilic surface: 55.572

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.