MMsINC Database Search


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MMsINC code: MMs03452642

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)ccc1c2cccc1

InChI:

InChI=1/C18H14O2/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20/h1-10,17-20H/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5503 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.38002	SlogP: 3.7782	Reactive groups: 0

Topological Properties
Globularity: 0.0566656	Sterimol/B1: 3.54993	Sterimol/B2: 3.67467	Sterimol/B3: 4.3081
Sterimol/B4: 4.58162	Sterimol/L: 14.2781

Surface and Volume Properties
Accessible surface: 464.153	Positive charged surface: 247.547	Negative charged surface: 198.885	Volume: 255.75
Hydrophobic surface: 378.018	Hydrophilic surface: 86.135

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.