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MMsINC code: MMs02219433

Type: Neutral
Formula: C₁₅H₁₅NO₄

SMILES:

O(CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C15H15NO4/c17-16(18)13-7-9-15(10-8-13)20-12-4-11-19-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5325 kcal/mol

Physical Properties
Molecular Weight: 273.288 g/mol	logS: -4.27198	SlogP: 3.4427	Reactive groups: 0

Topological Properties
Globularity: 0.00640016	Sterimol/B1: 2.37426	Sterimol/B2: 2.37729	Sterimol/B3: 3.25647
Sterimol/B4: 5.02708	Sterimol/L: 18.699

Surface and Volume Properties
Accessible surface: 533.898	Positive charged surface: 279.237	Negative charged surface: 254.661	Volume: 260
Hydrophobic surface: 439.351	Hydrophilic surface: 94.547

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.