MMsINC Database Search


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MMsINC code: MMs02676519

Type: Neutral
Formula: C₇H₅Cl₃O

SMILES:

Clc1cc(Cl)cc(Cl)c1CO

InChI:

InChI=1/C7H5Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.2911 kcal/mol

Physical Properties
Molecular Weight: 211.475 g/mol	logS: -3.35877	SlogP: 3.4055	Reactive groups: 0

Topological Properties
Globularity: 0.0524065	Sterimol/B1: 2.3394	Sterimol/B2: 2.76915	Sterimol/B3: 3.54796
Sterimol/B4: 5.94337	Sterimol/L: 10.8972

Surface and Volume Properties
Accessible surface: 352.988	Positive charged surface: 114.499	Negative charged surface: 238.489	Volume: 160.375
Hydrophobic surface: 295.269	Hydrophilic surface: 57.719

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.