MMsINC Database Search


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MMsINC code: MMs02250356

Type: Neutral
Formula: C₁₄H₂₁NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C14H21NO2/c1-10(2)15(11(3)4)14(16)12-6-8-13(17-5)9-7-12/h6-11H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=240.066 kcal/mol

Physical Properties
Molecular Weight: 235.327 g/mol	logS: -2.78424	SlogP: 2.9542	Reactive groups: 0

Topological Properties
Globularity: 0.130673	Sterimol/B1: 2.33319	Sterimol/B2: 2.48552	Sterimol/B3: 5.31758
Sterimol/B4: 6.12633	Sterimol/L: 14.2878

Surface and Volume Properties
Accessible surface: 457.167	Positive charged surface: 310.431	Negative charged surface: 146.736	Volume: 246.125
Hydrophobic surface: 350.306	Hydrophilic surface: 106.861

Pharmacophoric Properties
Hydrogen bond donors: 0	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.