MMsINC Database Search


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MMsINC code: MMs01441423

Type: Neutral
Formula: C₁₆H₁₄Cl₂FNO₂

SMILES:

Clc1c(OCC(=O)NC(C)c2ccc(F)cc2)cccc1Cl

InChI:

InChI=1/C16H14Cl2FNO2/c1-10(11-5-7-12(19)8-6-11)20-15(21)9-22-14-4-2-3-13(17)16(14)18/h2-8,10H,9H2,1H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4955 kcal/mol

Physical Properties
Molecular Weight: 342.197 g/mol	logS: -5.4665	SlogP: 4.4842	Reactive groups: 0

Topological Properties
Globularity: 0.0462103	Sterimol/B1: 2.29283	Sterimol/B2: 2.86222	Sterimol/B3: 4.91404
Sterimol/B4: 6.13769	Sterimol/L: 17.762

Surface and Volume Properties
Accessible surface: 573.727	Positive charged surface: 259.981	Negative charged surface: 313.746	Volume: 295
Hydrophobic surface: 511.316	Hydrophilic surface: 62.411

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.