MMsINC Database Search


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MMsINC code: MMs02399743

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1\C(\c2c(cccc2)C1=O)=C/c1ccc(O)cc1

InChI:

InChI=1/C15H10O3/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9,16H/b14-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3254 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.18654	SlogP: 3.0607	Reactive groups: 0

Topological Properties
Globularity: 0.0674185	Sterimol/B1: 2.39832	Sterimol/B2: 2.41727	Sterimol/B3: 3.64864
Sterimol/B4: 6.7097	Sterimol/L: 12.642

Surface and Volume Properties
Accessible surface: 432.029	Positive charged surface: 234.253	Negative charged surface: 197.777	Volume: 222.375
Hydrophobic surface: 308.332	Hydrophilic surface: 123.697

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.