MMsINC Database Search


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MMsINC code: MMs00657431

Type: Neutral
Formula: C₁₆H₁₄ClF₂NO₃

SMILES:

Clc1cc(ccc1OCC)C(=O)Nc1ccccc1OC(F)F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2983 kcal/mol

Physical Properties
Molecular Weight: 341.741 g/mol	logS: -4.601	SlogP: 5.0123	Reactive groups: 0

Topological Properties
Globularity: 0.0178152	Sterimol/B1: 3.06749	Sterimol/B2: 3.316	Sterimol/B3: 4.69282
Sterimol/B4: 5.20919	Sterimol/L: 17.4452

Surface and Volume Properties
Accessible surface: 562.542	Positive charged surface: 286.804	Negative charged surface: 275.739	Volume: 290.875
Hydrophobic surface: 420.967	Hydrophilic surface: 141.575

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.