MMsINC Database Search


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MMsINC code: MMs00493472

Type: Neutral
Formula: C₁₄H₁₄N₂O₃

SMILES:

O(C)c1cccc(OC)c1C(=O)Nc1ncccc1

InChI:

InChI=1/C14H14N2O3/c1-18-10-6-5-7-11(19-2)13(10)14(17)16-12-8-3-4-9-15-12/h3-9H,1-2H3,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0748 kcal/mol

Physical Properties
Molecular Weight: 258.277 g/mol	logS: -2.50875	SlogP: 2.3511	Reactive groups: 0

Topological Properties
Globularity: 0.0871206	Sterimol/B1: 2.31115	Sterimol/B2: 3.6998	Sterimol/B3: 3.91914
Sterimol/B4: 9.5476	Sterimol/L: 14.1618

Surface and Volume Properties
Accessible surface: 500.817	Positive charged surface: 362.019	Negative charged surface: 138.798	Volume: 245.75
Hydrophobic surface: 438.277	Hydrophilic surface: 62.54

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.