MMsINC Database Search


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MMsINC code: MMs03135614

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O(C)c1c2c(ccc1)C(=O)c1c(C2=O)c(O)ccc1O

InChI:

InChI=1/C15H10O5/c1-20-10-4-2-3-7-11(10)15(19)13-9(17)6-5-8(16)12(13)14(7)18/h2-6,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6022 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.21148	SlogP: 1.8818	Reactive groups: 0

Topological Properties
Globularity: 0.0139033	Sterimol/B1: 2.40452	Sterimol/B2: 2.4537	Sterimol/B3: 3.13891
Sterimol/B4: 6.63967	Sterimol/L: 12.8681

Surface and Volume Properties
Accessible surface: 450.752	Positive charged surface: 293.929	Negative charged surface: 156.823	Volume: 233.75
Hydrophobic surface: 304.908	Hydrophilic surface: 145.844

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.