MMsINC Database Search


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MMsINC code: MMs01084616

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C)c1ccccc1C(Oc1ccc(cc1)C(=O)C)=O

InChI:

InChI=1/C16H14O4/c1-11(17)12-7-9-13(10-8-12)20-16(18)14-5-3-4-6-15(14)19-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1272 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.86159	SlogP: 3.117	Reactive groups: 0

Topological Properties
Globularity: 0.0516073	Sterimol/B1: 2.54347	Sterimol/B2: 4.43984	Sterimol/B3: 4.88821
Sterimol/B4: 5.01961	Sterimol/L: 16.3303

Surface and Volume Properties
Accessible surface: 510.549	Positive charged surface: 316.03	Negative charged surface: 194.519	Volume: 258.75
Hydrophobic surface: 439.783	Hydrophilic surface: 70.766

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.