MMsINC Database Search


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MMsINC code: MMs02281427

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

Oc1cc(Cc2ccccc2)c(cc1O)Cc1ccccc1

InChI:

InChI=1/C20H18O2/c21-19-13-17(11-15-7-3-1-4-8-15)18(14-20(19)22)12-16-9-5-2-6-10-16/h1-10,13-14,21-22H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.432 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -4.89374	SlogP: 4.27934	Reactive groups: 0

Topological Properties
Globularity: 0.174193	Sterimol/B1: 2.55785	Sterimol/B2: 2.88585	Sterimol/B3: 4.46126
Sterimol/B4: 8.13258	Sterimol/L: 13.9557

Surface and Volume Properties
Accessible surface: 529.314	Positive charged surface: 304.914	Negative charged surface: 224.4	Volume: 296.25
Hydrophobic surface: 433.672	Hydrophilic surface: 95.642

Pharmacophoric Properties
Hydrogen bond donors: 2	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.