MMsINC Database Search


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MMsINC code: MMs02383286

Type: Neutral
Formula: C₂₀H₁₈O₃

SMILES:

Oc1ccc(cc1)C(c1ccccc1CO)c1ccc(O)cc1

InChI:

InChI=1/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.452 kcal/mol

Physical Properties
Molecular Weight: 306.361 g/mol	logS: -4.19084	SlogP: 4.0367	Reactive groups: 0

Topological Properties
Globularity: 0.349541	Sterimol/B1: 3.06139	Sterimol/B2: 5.45819	Sterimol/B3: 6.1826
Sterimol/B4: 7.2072	Sterimol/L: 11.9423

Surface and Volume Properties
Accessible surface: 532.905	Positive charged surface: 323.902	Negative charged surface: 209.003	Volume: 301
Hydrophobic surface: 375.214	Hydrophilic surface: 157.691

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.