MMsINC Database Search


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MMsINC code: MMs02314940

Type: Neutral
Formula: C₁₅H₁₀Cl₂O₆

SMILES:

Clc1cc(Cc2cc(Cl)cc(C(O)=O)c2O)c(O)c(c1)C(O)=O

InChI:

InChI=1/C15H10Cl2O6/c16-8-2-6(12(18)10(4-8)14(20)21)1-7-3-9(17)5-11(13(7)19)15(22)23/h2-5,18-19H,1H2,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6656 kcal/mol

Physical Properties
Molecular Weight: 357.145 g/mol	logS: -3.87129	SlogP: 3.39177	Reactive groups: 0

Topological Properties
Globularity: 0.142586	Sterimol/B1: 3.41081	Sterimol/B2: 4.07705	Sterimol/B3: 4.12147
Sterimol/B4: 7.8679	Sterimol/L: 14.1102

Surface and Volume Properties
Accessible surface: 527.213	Positive charged surface: 240.716	Negative charged surface: 286.497	Volume: 281.75
Hydrophobic surface: 298.682	Hydrophilic surface: 228.531

Pharmacophoric Properties
Hydrogen bond donors: 6	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

MMs02314941
NCID-ZINC01680950