MMsINC Database Search


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MMsINC code: MMs00627529

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H14N2O4/c1-11(18)16-13-4-8-15(9-5-13)21-10-12-2-6-14(7-3-12)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)=86.9987 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -4.20284	SlogP: 3.3986	Reactive groups: 0

Topological Properties
Globularity: 0.040605	Sterimol/B1: 3.07759	Sterimol/B2: 3.393	Sterimol/B3: 3.56288
Sterimol/B4: 4.00716	Sterimol/L: 18.5633

Surface and Volume Properties
Accessible surface: 527.895	Positive charged surface: 270.352	Negative charged surface: 257.543	Volume: 261.625
Hydrophobic surface: 385.3	Hydrophilic surface: 142.595

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.