MMsINC Database Search


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MMsINC code: MMs00656037

Type: Neutral
Formula: C₁₄H₁₀N₂O₄

SMILES:

o1c2cc([N+](=O)[O-])ccc2nc1-c1cc(OC)ccc1

InChI:

InChI=1/C14H10N2O4/c1-19-11-4-2-3-9(7-11)14-15-12-6-5-10(16(17)18)8-13(12)20-14/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2116 kcal/mol

Physical Properties
Molecular Weight: 270.244 g/mol	logS: -5.54116	SlogP: 3.4116	Reactive groups: 0

Topological Properties
Globularity: 0.00309797	Sterimol/B1: 2.37454	Sterimol/B2: 2.37459	Sterimol/B3: 3.21643
Sterimol/B4: 5.57325	Sterimol/L: 16.7029

Surface and Volume Properties
Accessible surface: 488.41	Positive charged surface: 262.818	Negative charged surface: 225.592	Volume: 235.625
Hydrophobic surface: 355.236	Hydrophilic surface: 133.174

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.