MMsINC Database Search


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MMsINC code: MMs01524891

Type: Neutral
Formula: C₁₆H₁₄Cl₂FNO

SMILES:

Clc1cc(ccc1Cl)CC(=O)NC(C)c1ccc(F)cc1

InChI:

InChI=1/C16H14Cl2FNO/c1-10(12-3-5-13(19)6-4-12)20-16(21)9-11-2-7-14(17)15(18)8-11/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)=55.0287 kcal/mol

Physical Properties
Molecular Weight: 326.198 g/mol	logS: -5.45115	SlogP: 4.64787	Reactive groups: 0

Topological Properties
Globularity: 0.0894146	Sterimol/B1: 1.969	Sterimol/B2: 2.85068	Sterimol/B3: 4.75783
Sterimol/B4: 7.08438	Sterimol/L: 17.4223

Surface and Volume Properties
Accessible surface: 554.688	Positive charged surface: 250.087	Negative charged surface: 304.6	Volume: 287.5
Hydrophobic surface: 504.872	Hydrophilic surface: 49.816

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