MMsINC Database Search


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MMsINC code: MMs03540986

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

Oc1c2c3c4c5c(c2ccc1)cccc5ccc4ccc3

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.253 kcal/mol

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

Topological Properties
Globularity: 0.00301138	Sterimol/B1: 2.09914	Sterimol/B2: 2.20618	Sterimol/B3: 2.53869
Sterimol/B4: 9.36721	Sterimol/L: 12.4979

Surface and Volume Properties
Accessible surface: 459.712	Positive charged surface: 211.804	Negative charged surface: 203.624	Volume: 259
Hydrophobic surface: 423.843	Hydrophilic surface: 35.869

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.