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MMsINC code: MMs02751806

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

O(C)c1cc(N)ccc1-c1ccc(N)cc1OC

InChI:

InChI=1/C14H16N2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4065 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -3.35378	SlogP: 2.5352	Reactive groups: 0

Topological Properties
Globularity: 0.158161	Sterimol/B1: 2.1804	Sterimol/B2: 2.21907	Sterimol/B3: 5.67451
Sterimol/B4: 6.31623	Sterimol/L: 13.6598

Surface and Volume Properties
Accessible surface: 480.016	Positive charged surface: 368.02	Negative charged surface: 109.86	Volume: 243
Hydrophobic surface: 353.729	Hydrophilic surface: 126.287

Pharmacophoric Properties
Hydrogen bond donors: 2	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.