MMsINC Database Search


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MMsINC code: MMs03547473

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

OCc1cc2c(cc1CO)cc1c(c3c(cc1)cccc3)c2

InChI:

InChI=1/C20H16O2/c21-11-17-8-15-7-14-6-5-13-3-1-2-4-19(13)20(14)10-16(15)9-18(17)12-22/h1-10,21-22H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9488 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.56056	SlogP: 4.6636	Reactive groups: 0

Topological Properties
Globularity: 0.00566318	Sterimol/B1: 2.37421	Sterimol/B2: 2.37739	Sterimol/B3: 4.05718
Sterimol/B4: 6.13267	Sterimol/L: 15.2717

Surface and Volume Properties
Accessible surface: 517.875	Positive charged surface: 284.759	Negative charged surface: 199.902	Volume: 286.875
Hydrophobic surface: 408.506	Hydrophilic surface: 109.369

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.