MMsINC Database Search


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MMsINC code: MMs00723781

Type: Neutral
Formula: C₁₆H₁₄ClF₂NO₃

SMILES:

Clc1cc(F)c(F)cc1C(=O)NCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C16H14ClF2NO3/c1-22-14-4-3-9(5-15(14)23-2)8-20-16(21)10-6-12(18)13(19)7-11(10)17/h3-7H,8H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7277 kcal/mol

Physical Properties
Molecular Weight: 341.741 g/mol	logS: -4.72392	SlogP: 3.8318	Reactive groups: 0

Topological Properties
Globularity: 0.125978	Sterimol/B1: 2.21941	Sterimol/B2: 3.99968	Sterimol/B3: 4.87251
Sterimol/B4: 7.22631	Sterimol/L: 16.2438

Surface and Volume Properties
Accessible surface: 568.092	Positive charged surface: 333.393	Negative charged surface: 234.699	Volume: 289.125
Hydrophobic surface: 511.502	Hydrophilic surface: 56.59

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.