MMsINC Database Search


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MMsINC code: MMs02827124

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

O=C1c2c(-c3c1cccc3)c(ccc2)C

InChI:

InChI=1/C14H10O/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14(12)15/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3107 kcal/mol

Physical Properties
Molecular Weight: 194.233 g/mol	logS: -4.71249	SlogP: 3.20642	Reactive groups: 0

Topological Properties
Globularity: 0.00991884	Sterimol/B1: 2.00931	Sterimol/B2: 2.10603	Sterimol/B3: 2.51247
Sterimol/B4: 7.43774	Sterimol/L: 11.9481

Surface and Volume Properties
Accessible surface: 386.893	Positive charged surface: 196.808	Negative charged surface: 178.654	Volume: 196.875
Hydrophobic surface: 340.689	Hydrophilic surface: 46.204

Pharmacophoric Properties
Hydrogen bond donors: 0	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.