MMsINC Database Search


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MMsINC code: MMs03493752

Type: Neutral
Formula: C₂₂H₁₆O₃

SMILES:

O(C)c1c2c3c4c(ccc(O)c4cc2)c(OC)cc3c2c1cccc2

InChI:

InChI=1/C22H16O3/c1-24-19-11-17-12-5-3-4-6-13(12)22(25-2)16-8-7-14-18(23)10-9-15(19)20(14)21(16)17/h3-11,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.929 kcal/mol

Physical Properties
Molecular Weight: 328.367 g/mol	logS: -8.08671	SlogP: 5.46	Reactive groups: 0

Topological Properties
Globularity: 0.0238556	Sterimol/B1: 2.23536	Sterimol/B2: 2.61965	Sterimol/B3: 2.70067
Sterimol/B4: 9.70845	Sterimol/L: 13.9035

Surface and Volume Properties
Accessible surface: 547.724	Positive charged surface: 333.568	Negative charged surface: 167.25	Volume: 314.625
Hydrophobic surface: 490.865	Hydrophilic surface: 56.859

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.