MMsINC Database Search


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MMsINC code: MMs02256057

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

Oc1cc(-c2ccc(cc2)C)c(O)cc1-c1ccc(cc1)C

InChI:

InChI=1/C20H18O2/c1-13-3-7-15(8-4-13)17-11-20(22)18(12-19(17)21)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.4521 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.46158	SlogP: 5.04864	Reactive groups: 0

Topological Properties
Globularity: 0.0381865	Sterimol/B1: 3.29915	Sterimol/B2: 3.32928	Sterimol/B3: 4.03014
Sterimol/B4: 4.21244	Sterimol/L: 18.2324

Surface and Volume Properties
Accessible surface: 558.586	Positive charged surface: 323.583	Negative charged surface: 226.664	Volume: 298.5
Hydrophobic surface: 483.617	Hydrophilic surface: 74.969

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.