MMsINC Database Search


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MMsINC code: MMs02392791

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O1C(c2c(cccc2)C1=O)(c1ccccc1O)c1ccc(O)cc1

InChI:

InChI=1/C20H14O4/c21-14-11-9-13(10-12-14)20(17-7-3-4-8-18(17)22)16-6-2-1-5-15(16)19(23)24-20/h1-12,21-22H/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.85 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -4.70091	SlogP: 3.8716	Reactive groups: 0

Topological Properties
Globularity: 0.30072	Sterimol/B1: 2.30071	Sterimol/B2: 3.49226	Sterimol/B3: 5.81427
Sterimol/B4: 9.50397	Sterimol/L: 11.8915

Surface and Volume Properties
Accessible surface: 515.344	Positive charged surface: 278.052	Negative charged surface: 237.292	Volume: 291.25
Hydrophobic surface: 385.598	Hydrophilic surface: 129.746

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.