MMsINC Database Search


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MMsINC code: MMs01395769

Type: Neutral
Formula: C₂₃H₁₆O₃

SMILES:

O(c1ccccc1C(Oc1cc2c(cc1)cccc2)=O)c1ccccc1

InChI:

InChI=1/C23H16O3/c24-23(26-20-15-14-17-8-4-5-9-18(17)16-20)21-12-6-7-13-22(21)25-19-10-2-1-3-11-19/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.572 kcal/mol

Physical Properties
Molecular Weight: 340.378 g/mol	logS: -7.15953	SlogP: 5.8513	Reactive groups: 0

Topological Properties
Globularity: 0.0737358	Sterimol/B1: 2.097	Sterimol/B2: 3.68479	Sterimol/B3: 4.28076
Sterimol/B4: 8.68801	Sterimol/L: 17.6284

Surface and Volume Properties
Accessible surface: 618.735	Positive charged surface: 329.084	Negative charged surface: 277.723	Volume: 333.25
Hydrophobic surface: 592.614	Hydrophilic surface: 26.121

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.