MMsINC Database Search


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MMsINC code: MMs00844574

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

O(C)c1ccccc1CC(=O)N1CCCCC1

InChI:

InChI=1/C14H19NO2/c1-17-13-8-4-3-7-12(13)11-14(16)15-9-5-2-6-10-15/h3-4,7-8H,2,5-6,9-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8916 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -2.29102	SlogP: 2.25017	Reactive groups: 0

Topological Properties
Globularity: 0.106452	Sterimol/B1: 2.48091	Sterimol/B2: 3.44573	Sterimol/B3: 3.91389
Sterimol/B4: 7.44595	Sterimol/L: 13.7684

Surface and Volume Properties
Accessible surface: 478.025	Positive charged surface: 363.914	Negative charged surface: 114.112	Volume: 241.125
Hydrophobic surface: 451.694	Hydrophilic surface: 26.331

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.