MMsINC Database Search


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MMsINC code: MMs03230939

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O=[N+]([O-])c1ccc(NCCc2ccccc2)cc1

InChI:

InChI=1/C14H14N2O2/c17-16(18)14-8-6-13(7-9-14)15-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0658 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.80094	SlogP: 3.24937	Reactive groups: 0

Topological Properties
Globularity: 0.0590848	Sterimol/B1: 3.22786	Sterimol/B2: 3.61717	Sterimol/B3: 3.61842
Sterimol/B4: 5.00273	Sterimol/L: 16.2596

Surface and Volume Properties
Accessible surface: 484.784	Positive charged surface: 244.905	Negative charged surface: 239.878	Volume: 238.5
Hydrophobic surface: 383.012	Hydrophilic surface: 101.772

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.