MMsINC Database Search


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MMsINC code: MMs01727837

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

Oc1c2c(cccc2)c(cc1)-c1c2c(cccc2)c(O)cc1

InChI:

InChI=1/C20H14O2/c21-19-11-9-15(13-5-1-3-7-17(13)19)16-10-12-20(22)18-8-4-2-6-14(16)18/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6871 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.84312	SlogP: 5.0712	Reactive groups: 0

Topological Properties
Globularity: 0.162195	Sterimol/B1: 2.097	Sterimol/B2: 2.30413	Sterimol/B3: 5.32498
Sterimol/B4: 6.47655	Sterimol/L: 13.2331

Surface and Volume Properties
Accessible surface: 502.929	Positive charged surface: 274.984	Negative charged surface: 212.026	Volume: 277
Hydrophobic surface: 413.226	Hydrophilic surface: 89.703

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.