MMsINC Database Search


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MMsINC code: MMs03452611

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c(c5c(cc4ccc3cc1)cccc5)cc2

InChI:

InChI=1/C20H12O/c21-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.571 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -7.98595	SlogP: 5.4428	Reactive groups: 0

Topological Properties
Globularity: 0.00200287	Sterimol/B1: 2.10683	Sterimol/B2: 2.2158	Sterimol/B3: 4.64963
Sterimol/B4: 5.41886	Sterimol/L: 14.29

Surface and Volume Properties
Accessible surface: 470.489	Positive charged surface: 218.154	Negative charged surface: 208.05	Volume: 262.75
Hydrophobic surface: 424.714	Hydrophilic surface: 45.775

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.