MMsINC Database Search


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MMsINC code: MMs01287624

Type: Neutral
Formula: C₁₆H₁₄ClF₂NO₃

SMILES:

Clc1ccccc1CNC(=O)c1cc(OC)c(OC(F)F)cc1

InChI:

InChI=1/C16H14ClF2NO3/c1-22-14-8-10(6-7-13(14)23-16(18)19)15(21)20-9-11-4-2-3-5-12(11)17/h2-8,16H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6472 kcal/mol

Physical Properties
Molecular Weight: 341.741 g/mol	logS: -4.21783	SlogP: 4.5663	Reactive groups: 0

Topological Properties
Globularity: 0.0535655	Sterimol/B1: 1.969	Sterimol/B2: 3.62367	Sterimol/B3: 4.5912
Sterimol/B4: 7.56249	Sterimol/L: 15.5023

Surface and Volume Properties
Accessible surface: 561.925	Positive charged surface: 301.522	Negative charged surface: 260.403	Volume: 290.375
Hydrophobic surface: 424.393	Hydrophilic surface: 137.532

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.