MMsINC Database Search


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MMsINC code: MMs00849573

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

o1c2c(cc(O)c3c2cccc3)c(C(=O)C)c1C

InChI:

InChI=1/C15H12O3/c1-8(16)14-9(2)18-15-11-6-4-3-5-10(11)13(17)7-12(14)15/h3-7,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7177 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -4.9718	SlogP: 3.80262	Reactive groups: 0

Topological Properties
Globularity: 0.0387192	Sterimol/B1: 2.46689	Sterimol/B2: 2.96251	Sterimol/B3: 3.46247
Sterimol/B4: 7.04234	Sterimol/L: 13.1436

Surface and Volume Properties
Accessible surface: 454.541	Positive charged surface: 243.304	Negative charged surface: 196.498	Volume: 228.875
Hydrophobic surface: 368.033	Hydrophilic surface: 86.508

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.