MMsINC Database Search


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MMsINC code: MMs00592109

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)C)c1ccc(cc1)C(OCc1ccccc1)=O

InChI:

InChI=1/C16H14O4/c1-12(17)20-15-9-7-14(8-10-15)16(18)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5584 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.88803	SlogP: 3.2353	Reactive groups: 0

Topological Properties
Globularity: 0.047938	Sterimol/B1: 2.56588	Sterimol/B2: 3.54115	Sterimol/B3: 3.79036
Sterimol/B4: 5.86926	Sterimol/L: 17.0662

Surface and Volume Properties
Accessible surface: 537.964	Positive charged surface: 301.728	Negative charged surface: 236.236	Volume: 258.75
Hydrophobic surface: 451.428	Hydrophilic surface: 86.536

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.