MMsINC Database Search


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MMsINC code: MMs02366142

Type: Neutral
Formula: C₁₅H₁₈O₄

SMILES:

O(C(=O)c1ccccc1C(OC)=O)C1CCCCC1

InChI:

InChI=1/C15H18O4/c1-18-14(16)12-9-5-6-10-13(12)15(17)19-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0727 kcal/mol

Physical Properties
Molecular Weight: 262.305 g/mol	logS: -3.61948	SlogP: 2.9627	Reactive groups: 0

Topological Properties
Globularity: 0.0697503	Sterimol/B1: 1.969	Sterimol/B2: 2.94019	Sterimol/B3: 4.02338
Sterimol/B4: 8.96899	Sterimol/L: 13.7303

Surface and Volume Properties
Accessible surface: 506.961	Positive charged surface: 365.917	Negative charged surface: 141.045	Volume: 257.125
Hydrophobic surface: 459.669	Hydrophilic surface: 47.292

Pharmacophoric Properties
Hydrogen bond donors: 0	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.