MMsINC Database Search


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MMsINC code: MMs00747514

Type: Neutral
Formula: C₁₅H₂₃NO₃

SMILES:

O(C)c1ccc(cc1)C(=O)NCCCOCCCC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9647 kcal/mol

Physical Properties
Molecular Weight: 265.353 g/mol	logS: -2.97	SlogP: 2.6318	Reactive groups: 0

Topological Properties
Globularity: 0.0104466	Sterimol/B1: 2.37506	Sterimol/B2: 2.37691	Sterimol/B3: 2.76761
Sterimol/B4: 5.93335	Sterimol/L: 20.7938

Surface and Volume Properties
Accessible surface: 582.293	Positive charged surface: 438.834	Negative charged surface: 143.459	Volume: 279.75
Hydrophobic surface: 499.328	Hydrophilic surface: 82.965

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.