MMsINC Database Search


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MMsINC code: MMs02673895

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

o1cccc1CNC(=O)Nc1cc(cc(c1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.841 kcal/mol

Physical Properties
Molecular Weight: 244.294 g/mol	logS: -3.8955	SlogP: 3.48454	Reactive groups: 0

Topological Properties
Globularity: 0.0284118	Sterimol/B1: 2.36219	Sterimol/B2: 2.97896	Sterimol/B3: 3.25655
Sterimol/B4: 6.95963	Sterimol/L: 15.886

Surface and Volume Properties
Accessible surface: 504.665	Positive charged surface: 303.28	Negative charged surface: 201.385	Volume: 245.375
Hydrophobic surface: 419.409	Hydrophilic surface: 85.256

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.