MMsINC Database Search


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MMsINC code: MMs02294834

Type: Neutral
Formula: C₁₄H₁₁Cl₃O

SMILES:

ClC(Cl)(Cl)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H11Cl3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.478 kcal/mol

Physical Properties
Molecular Weight: 301.6 g/mol	logS: -5.33156	SlogP: 5.0241	Reactive groups: 0

Topological Properties
Globularity: 0.23944	Sterimol/B1: 2.73383	Sterimol/B2: 3.6587	Sterimol/B3: 4.33329
Sterimol/B4: 6.60408	Sterimol/L: 11.7859

Surface and Volume Properties
Accessible surface: 453.345	Positive charged surface: 178.804	Negative charged surface: 274.542	Volume: 252.375
Hydrophobic surface: 292.998	Hydrophilic surface: 160.347

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.