MMsINC Database Search


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MMsINC code: MMs02091302

Type: Neutral
Formula: C₁₅H₁₀O₆

SMILES:

O1c2c(ccc(O)c2)C(=O)C=C1c1cc(O)c(O)c(O)c1

InChI:

InChI=1/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5212 kcal/mol

Physical Properties
Molecular Weight: 286.239 g/mol	logS: -3.10069	SlogP: 2.1252	Reactive groups: 1

Topological Properties
Globularity: 0.0054018	Sterimol/B1: 2.097	Sterimol/B2: 2.48962	Sterimol/B3: 4.72842
Sterimol/B4: 4.84843	Sterimol/L: 14.7525

Surface and Volume Properties
Accessible surface: 485.749	Positive charged surface: 275.031	Negative charged surface: 210.718	Volume: 242.625
Hydrophobic surface: 247.73	Hydrophilic surface: 238.019

Pharmacophoric Properties
Hydrogen bond donors: 4	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.