MMsINC Database Search


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MMsINC code: MMs02367898

Type: Neutral
Formula: C₁₀H₁₀Cl₂O₄

SMILES:

Clc1c(O)c(C(=O)CCl)c(OC)cc1OC

InChI:

InChI=1/C10H10Cl2O4/c1-15-6-3-7(16-2)9(12)10(14)8(6)5(13)4-11/h3,14H,4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2368 kcal/mol

Physical Properties
Molecular Weight: 265.092 g/mol	logS: -2.92817	SlogP: 2.4843	Reactive groups: 1

Topological Properties
Globularity: 0.0300653	Sterimol/B1: 2.37668	Sterimol/B2: 2.51536	Sterimol/B3: 2.56345
Sterimol/B4: 8.58233	Sterimol/L: 13.1587

Surface and Volume Properties
Accessible surface: 433.57	Positive charged surface: 257.117	Negative charged surface: 176.453	Volume: 214
Hydrophobic surface: 299.428	Hydrophilic surface: 134.142

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.