MMsINC Database Search


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MMsINC code: MMs01228270

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-]

InChI:

InChI=1/C15H14N2O4/c1-21-14-9-5-2-6-11(14)10-16-15(18)12-7-3-4-8-13(12)17(19)20/h2-9H,10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2797 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -4.13952	SlogP: 2.7998	Reactive groups: 0

Topological Properties
Globularity: 0.0929963	Sterimol/B1: 2.25396	Sterimol/B2: 2.96337	Sterimol/B3: 4.26316
Sterimol/B4: 6.94983	Sterimol/L: 14.0023

Surface and Volume Properties
Accessible surface: 515.584	Positive charged surface: 291.718	Negative charged surface: 223.867	Volume: 262.75
Hydrophobic surface: 405.312	Hydrophilic surface: 110.272

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.