MMsINC Database Search


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MMsINC code: MMs01107814

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=[N+]([O-])c1cc2cc(n(c2cc1)C)-c1ccccc1

InChI:

InChI=1/C15H12N2O2/c1-16-14-8-7-13(17(18)19)9-12(14)10-15(16)11-5-3-2-4-6-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.773 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.7542	SlogP: 4.1127	Reactive groups: 0

Topological Properties
Globularity: 0.0115352	Sterimol/B1: 2.14703	Sterimol/B2: 2.15867	Sterimol/B3: 2.70379
Sterimol/B4: 6.35967	Sterimol/L: 15.5365

Surface and Volume Properties
Accessible surface: 457.825	Positive charged surface: 217.678	Negative charged surface: 234.736	Volume: 236.625
Hydrophobic surface: 370.134	Hydrophilic surface: 87.691

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.