MMsINC Database Search


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MMsINC code: MMs00592127

Type: Neutral
Formula: C₁₆H₁₆O₄

SMILES:

O(Cc1ccccc1)c1ccc(OC(=O)COC)cc1

InChI:

InChI=1/C16H16O4/c1-18-12-16(17)20-15-9-7-14(8-10-15)19-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1344 kcal/mol

Physical Properties
Molecular Weight: 272.3 g/mol	logS: -3.69196	SlogP: 3.0838	Reactive groups: 0

Topological Properties
Globularity: 0.0379703	Sterimol/B1: 3.12656	Sterimol/B2: 3.49398	Sterimol/B3: 3.98866
Sterimol/B4: 4.43707	Sterimol/L: 19.0972

Surface and Volume Properties
Accessible surface: 548.836	Positive charged surface: 354.073	Negative charged surface: 194.763	Volume: 264.75
Hydrophobic surface: 490.506	Hydrophilic surface: 58.33

Pharmacophoric Properties
Hydrogen bond donors: 0	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.