MMsINC Database Search


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MMsINC code: MMs02318498

Type: Neutral
Formula: C₁₂H₁₄N₂O₂

SMILES:

O(C)c1cc2c([nH]c(C)c2CC(=O)N)cc1

InChI:

InChI=1/C12H14N2O2/c1-7-9(6-12(13)15)10-5-8(16-2)3-4-11(10)14-7/h3-5,14H,6H2,1-2H3,(H2,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4686 kcal/mol

Physical Properties
Molecular Weight: 218.256 g/mol	logS: -2.35214	SlogP: 1.51269	Reactive groups: 0

Topological Properties
Globularity: 0.0501055	Sterimol/B1: 2.55828	Sterimol/B2: 2.63468	Sterimol/B3: 3.56586
Sterimol/B4: 6.62064	Sterimol/L: 12.2654

Surface and Volume Properties
Accessible surface: 435.919	Positive charged surface: 301.842	Negative charged surface: 130.216	Volume: 213
Hydrophobic surface: 300.187	Hydrophilic surface: 135.732

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.