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MMsINC code: MMs00089236

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O=C1c2c(-c3c1cc(cc3)C)cccc2C(O)=O

InChI:

InChI=1/C15H10O3/c1-8-5-6-9-10-3-2-4-11(15(17)18)13(10)14(16)12(9)7-8/h2-7H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2657 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.68189	SlogP: 2.90462	Reactive groups: 0

Topological Properties
Globularity: 0.00539419	Sterimol/B1: 2.10405	Sterimol/B2: 2.51224	Sterimol/B3: 3.64141
Sterimol/B4: 5.34792	Sterimol/L: 13.4901

Surface and Volume Properties
Accessible surface: 436.372	Positive charged surface: 236.585	Negative charged surface: 189.432	Volume: 223.125
Hydrophobic surface: 314.289	Hydrophilic surface: 122.083

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs00089237
ASINEX-ZINC00193186