MMsINC Database Search


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MMsINC code: MMs00278187

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)NCCCCCC

InChI:

InChI=1/C15H23NO3/c1-4-5-6-7-8-16-15(17)12-9-13(18-2)11-14(10-12)19-3/h9-11H,4-8H2,1-3H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.4252 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -3.70641	SlogP: 3.0139	Reactive groups: 0

Topological Properties
Globularity: 0.0124698	Sterimol/B1: 2.37533	Sterimol/B2: 2.37609	Sterimol/B3: 4.55121
Sterimol/B4: 5.33567	Sterimol/L: 19.2283

Surface and Volume Properties
Accessible surface: 564.464	Positive charged surface: 438.51	Negative charged surface: 125.954	Volume: 279.375
Hydrophobic surface: 475.125	Hydrophilic surface: 89.339

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.