MMsINC Database Search


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MMsINC code: MMs00619609

Type: Neutral
Formula: C₁₅H₂₃NO₂

SMILES:

O(C)c1cc(ccc1)C(=O)NC(C(C)C)C(C)C

InChI:

InChI=1/C15H23NO2/c1-10(2)14(11(3)4)16-15(17)12-7-6-8-13(9-12)18-5/h6-11,14H,1-5H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3869 kcal/mol

Physical Properties
Molecular Weight: 249.354 g/mol	logS: -3.04289	SlogP: 3.1056	Reactive groups: 0

Topological Properties
Globularity: 0.0964282	Sterimol/B1: 2.41481	Sterimol/B2: 3.13381	Sterimol/B3: 3.87106
Sterimol/B4: 7.13523	Sterimol/L: 15.3623

Surface and Volume Properties
Accessible surface: 499.702	Positive charged surface: 343.243	Negative charged surface: 156.459	Volume: 267.625
Hydrophobic surface: 394.466	Hydrophilic surface: 105.236

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.