MMsINC Database Search


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MMsINC code: MMs02273148

Type: Neutral
Formula: C₂₀H₂₀O₃

SMILES:

o1c(ccc1-c1cc(ccc1OC)C)-c1cc(ccc1OC)C

InChI:

InChI=1/C20H20O3/c1-13-5-7-17(21-3)15(11-13)19-9-10-20(23-19)16-12-14(2)6-8-18(16)22-4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9997 kcal/mol

Physical Properties
Molecular Weight: 308.377 g/mol	logS: -6.82249	SlogP: 5.24764	Reactive groups: 0

Topological Properties
Globularity: 0.154739	Sterimol/B1: 3.34332	Sterimol/B2: 3.53173	Sterimol/B3: 5.38953
Sterimol/B4: 6.6234	Sterimol/L: 16.2819

Surface and Volume Properties
Accessible surface: 603.033	Positive charged surface: 422.593	Negative charged surface: 180.44	Volume: 316.5
Hydrophobic surface: 593.125	Hydrophilic surface: 9.908

Pharmacophoric Properties
Hydrogen bond donors: 0	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.