MMsINC Database Search


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MMsINC code: MMs03033158

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

O(C)c1cc(O)cc2c1c1c(cccc1O)cc2

InChI:

InChI=1/C15H12O3/c1-18-13-8-11(16)7-10-6-5-9-3-2-4-12(17)14(9)15(10)13/h2-8,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5463 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -4.46712	SlogP: 3.4128	Reactive groups: 0

Topological Properties
Globularity: 0.0512699	Sterimol/B1: 2.24905	Sterimol/B2: 2.49216	Sterimol/B3: 3.90512
Sterimol/B4: 7.92796	Sterimol/L: 12.3254

Surface and Volume Properties
Accessible surface: 437.469	Positive charged surface: 275.527	Negative charged surface: 142.058	Volume: 227.5
Hydrophobic surface: 349.609	Hydrophilic surface: 87.86

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: no related molecules available.