MMsINC Database Search


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MMsINC code: MMs02673929

Type: Neutral
Formula: C₁₄H₁₆N₂O₂

SMILES:

o1cccc1CNC(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C14H16N2O2/c1-10-5-6-12(8-11(10)2)16-14(17)15-9-13-4-3-7-18-13/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)=32.2262 kcal/mol

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

Topological Properties
Globularity: 0.0254244	Sterimol/B1: 3.0056	Sterimol/B2: 3.09347	Sterimol/B3: 3.23115
Sterimol/B4: 5.16583	Sterimol/L: 16.3756

Surface and Volume Properties
Accessible surface: 502.664	Positive charged surface: 294.553	Negative charged surface: 208.112	Volume: 246.75
Hydrophobic surface: 417.109	Hydrophilic surface: 85.555

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.