MMsINC Database Search


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MMsINC code: MMs00113017

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)C(C)(C)C

InChI:

InChI=1/C15H23NO3/c1-15(2,3)14(17)16-9-8-11-6-7-12(18-4)13(10-11)19-5/h6-7,10H,8-9H2,1-5H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3725 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -2.30591	SlogP: 2.40857	Reactive groups: 0

Topological Properties
Globularity: 0.0551978	Sterimol/B1: 2.14981	Sterimol/B2: 3.765	Sterimol/B3: 4.71868
Sterimol/B4: 5.7609	Sterimol/L: 16.6626

Surface and Volume Properties
Accessible surface: 547.581	Positive charged surface: 412.058	Negative charged surface: 135.523	Volume: 278.625
Hydrophobic surface: 445.536	Hydrophilic surface: 102.045

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.