MMsINC Database Search


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MMsINC code: MMs03547443

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(cc3c(c4c(cc3)cccc4)c2)ccc1

InChI:

InChI=1/C18H12O/c19-18-7-3-5-13-10-14-9-8-12-4-1-2-6-15(12)16(14)11-17(13)18/h1-11,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2804 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.65657	SlogP: 4.8518	Reactive groups: 0

Topological Properties
Globularity: 0.00209818	Sterimol/B1: 2.16167	Sterimol/B2: 2.16406	Sterimol/B3: 3.60731
Sterimol/B4: 5.98901	Sterimol/L: 14.1764

Surface and Volume Properties
Accessible surface: 456.619	Positive charged surface: 218.794	Negative charged surface: 204.611	Volume: 244.75
Hydrophobic surface: 411.796	Hydrophilic surface: 44.823

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.