MMsINC Database Search


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MMsINC code: MMs03523126

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

Oc1c2c(C(=O)c3c(cc(cc3O)C)C2=O)c(O)cc1O

InChI:

InChI=1/C15H10O6/c1-5-2-6-10(7(16)3-5)15(21)11-8(17)4-9(18)14(20)12(11)13(6)19/h2-4,16-18,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6374 kcal/mol

Physical Properties
Molecular Weight: 286.239 g/mol	logS: -2.91112	SlogP: 1.59282	Reactive groups: 0

Topological Properties
Globularity: 0.0188056	Sterimol/B1: 2.53302	Sterimol/B2: 2.79613	Sterimol/B3: 3.32289
Sterimol/B4: 5.8978	Sterimol/L: 13.8608

Surface and Volume Properties
Accessible surface: 464.113	Positive charged surface: 285.731	Negative charged surface: 178.383	Volume: 239.375
Hydrophobic surface: 232.749	Hydrophilic surface: 231.364

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.