MMsINC Database Search


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MMsINC code: MMs02667765

Type: Neutral
Formula: C₁₁H₁₄O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)COC

InChI:

InChI=1/C11H14O4/c1-13-7-9(12)8-4-5-10(14-2)11(6-8)15-3/h4-6H,7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9351 kcal/mol

Physical Properties
Molecular Weight: 210.229 g/mol	logS: -1.93319	SlogP: 1.5329	Reactive groups: 0

Topological Properties
Globularity: 0.0215813	Sterimol/B1: 2.3752	Sterimol/B2: 2.37655	Sterimol/B3: 4.18393
Sterimol/B4: 5.37559	Sterimol/L: 13.9245

Surface and Volume Properties
Accessible surface: 439.423	Positive charged surface: 349.931	Negative charged surface: 89.4919	Volume: 204.5
Hydrophobic surface: 376.367	Hydrophilic surface: 63.056

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.