MMsINC Database Search


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MMsINC code: MMs02277303

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

Oc1c2c(c3c(c1)c(c1c(c3)cccc1)C)cccc2

InChI:

InChI=1/C19H14O/c1-12-14-7-3-2-6-13(14)10-18-15-8-4-5-9-16(15)19(20)11-17(12)18/h2-11,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6886 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -7.13049	SlogP: 5.16022	Reactive groups: 0

Topological Properties
Globularity: 0.00663275	Sterimol/B1: 2.10291	Sterimol/B2: 2.13305	Sterimol/B3: 2.50697
Sterimol/B4: 7.41907	Sterimol/L: 14.2805

Surface and Volume Properties
Accessible surface: 465.484	Positive charged surface: 235.076	Negative charged surface: 197.946	Volume: 259.75
Hydrophobic surface: 421.877	Hydrophilic surface: 43.607

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: 1

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Ions/Tautomers related molecules: no related molecules available.