MMsINC Database Search


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MMsINC code: MMs02551451

Type: Neutral
Formula: C₁₁H₇Cl₃O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1-c1oc(cc1)CO

InChI:

InChI=1/C11H7Cl3O2/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-4,15H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1533 kcal/mol

Physical Properties
Molecular Weight: 277.534 g/mol	logS: -5.50552	SlogP: 4.6655	Reactive groups: 0

Topological Properties
Globularity: 0.0868051	Sterimol/B1: 2.29893	Sterimol/B2: 3.84032	Sterimol/B3: 4.29991
Sterimol/B4: 5.369	Sterimol/L: 14.0631

Surface and Volume Properties
Accessible surface: 450.798	Positive charged surface: 176.249	Negative charged surface: 274.548	Volume: 218.125
Hydrophobic surface: 377.831	Hydrophilic surface: 72.967

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