MMsINC Database Search


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MMsINC code: MMs01042290

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(C)c1[nH]c(C)c(C(=O)NC2CCCC2)c1C

InChI:

InChI=1/C14H20N2O2/c1-8-12(9(2)15-13(8)10(3)17)14(18)16-11-6-4-5-7-11/h11,15H,4-7H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5223 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -1.8692	SlogP: 2.50654	Reactive groups: 0

Topological Properties
Globularity: 0.0734509	Sterimol/B1: 1.969	Sterimol/B2: 3.3607	Sterimol/B3: 4.12382
Sterimol/B4: 7.17968	Sterimol/L: 14.9099

Surface and Volume Properties
Accessible surface: 494.162	Positive charged surface: 321.095	Negative charged surface: 173.067	Volume: 253.625
Hydrophobic surface: 401.35	Hydrophilic surface: 92.812

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.