MMsINC Database Search


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MMsINC code: MMs00067093

Type: Neutral
Formula: C₁₄H₁₉NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C14H19NO2/c1-17-13-9-7-11(8-10-13)14(16)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5918 kcal/mol

Physical Properties
Molecular Weight: 233.311 g/mol	logS: -3.05253	SlogP: 2.7577	Reactive groups: 0

Topological Properties
Globularity: 0.046725	Sterimol/B1: 2.29135	Sterimol/B2: 2.93975	Sterimol/B3: 3.54339
Sterimol/B4: 5.43896	Sterimol/L: 16.1409

Surface and Volume Properties
Accessible surface: 481.651	Positive charged surface: 349.204	Negative charged surface: 132.447	Volume: 241
Hydrophobic surface: 435.769	Hydrophilic surface: 45.882

Pharmacophoric Properties
Hydrogen bond donors: 1	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.