MMsINC Database Search


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MMsINC code: MMs00596681

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

O=[N+]([O-])c1cc2c([nH]c(C)c2-c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4016 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -5.20478	SlogP: 4.05152	Reactive groups: 0

Topological Properties
Globularity: 0.0835757	Sterimol/B1: 2.44912	Sterimol/B2: 3.11224	Sterimol/B3: 3.63697
Sterimol/B4: 8.24984	Sterimol/L: 12.8738

Surface and Volume Properties
Accessible surface: 463.42	Positive charged surface: 222.322	Negative charged surface: 236.131	Volume: 238.125
Hydrophobic surface: 354.365	Hydrophilic surface: 109.055

Pharmacophoric Properties
Hydrogen bond donors: 1	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.