MMsINC Database Search


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MMsINC code: MMs00119037

Type: Neutral
Formula: C₁₅H₁₂Cl₂FNO₂

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C15H12Cl2FNO2/c16-11-3-6-14(13(17)7-11)21-9-15(20)19-8-10-1-4-12(18)5-2-10/h1-7H,8-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7009 kcal/mol

Physical Properties
Molecular Weight: 328.17 g/mol	logS: -5.13929	SlogP: 4.0941	Reactive groups: 0

Topological Properties
Globularity: 0.0436597	Sterimol/B1: 2.42004	Sterimol/B2: 4.37493	Sterimol/B3: 4.73689
Sterimol/B4: 4.81959	Sterimol/L: 18.1395

Surface and Volume Properties
Accessible surface: 554.824	Positive charged surface: 246.266	Negative charged surface: 308.558	Volume: 279.25
Hydrophobic surface: 496.131	Hydrophilic surface: 58.693

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.