MMsINC Database Search


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MMsINC code: MMs00503298

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C

InChI:

InChI=1/C15H14N2O4/c1-10-11(6-5-8-13(10)17(19)20)15(18)16-12-7-3-4-9-14(12)21-2/h3-9H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.145 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -4.35595	SlogP: 3.16412	Reactive groups: 0

Topological Properties
Globularity: 0.0294114	Sterimol/B1: 2.56126	Sterimol/B2: 3.06168	Sterimol/B3: 3.23177
Sterimol/B4: 6.74148	Sterimol/L: 15.08

Surface and Volume Properties
Accessible surface: 499.838	Positive charged surface: 285.348	Negative charged surface: 214.49	Volume: 259.125
Hydrophobic surface: 400.597	Hydrophilic surface: 99.241

Pharmacophoric Properties
Hydrogen bond donors: 1	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.