MMsINC Database Search


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MMsINC code: MMs03546938

Type: Neutral
Formula: C₂₀H₁₂O₂

SMILES:

Oc1c2c3c4c(ccc3c3c1cccc3)c(O)ccc4cc2

InChI:

InChI=1/C20H12O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.483 kcal/mol

Physical Properties
Molecular Weight: 284.314 g/mol	logS: -7.624	SlogP: 5.1484	Reactive groups: 0

Topological Properties
Globularity: 0.00370293	Sterimol/B1: 2.18054	Sterimol/B2: 2.2231	Sterimol/B3: 3.05869
Sterimol/B4: 6.93072	Sterimol/L: 14.2957

Surface and Volume Properties
Accessible surface: 479.985	Positive charged surface: 231.521	Negative charged surface: 204.18	Volume: 267.125
Hydrophobic surface: 395.572	Hydrophilic surface: 84.413

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: 0

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Ions/Tautomers related molecules: no related molecules available.