MMsINC Database Search


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MMsINC code: MMs00073084

Type: Neutral
Formula: C₁₂H₁₀O₅

SMILES:

O1c2c(ccc(O)c2OC(=O)C)C(=CC1=O)C

InChI:

InChI=1/C12H10O5/c1-6-5-10(15)17-11-8(6)3-4-9(14)12(11)16-7(2)13/h3-5,14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4312 kcal/mol

Physical Properties
Molecular Weight: 234.207 g/mol	logS: -3.09297	SlogP: 1.6398	Reactive groups: 0

Topological Properties
Globularity: 0.0425529	Sterimol/B1: 2.75942	Sterimol/B2: 3.02528	Sterimol/B3: 4.98492
Sterimol/B4: 5.39166	Sterimol/L: 12.6902

Surface and Volume Properties
Accessible surface: 429.798	Positive charged surface: 235.508	Negative charged surface: 194.29	Volume: 207.25
Hydrophobic surface: 285.811	Hydrophilic surface: 143.987

Pharmacophoric Properties
Hydrogen bond donors: 1	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.