MMsINC Database Search


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MMsINC code: MMs01563528

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₂

SMILES:

Clc1cc(F)c(NC(=O)CNc2cc(ccc2)C(=O)C)cc1

InChI:

InChI=1/C16H14ClFN2O2/c1-10(21)11-3-2-4-13(7-11)19-9-16(22)20-15-6-5-12(17)8-14(15)18/h2-8,19H,9H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4715 kcal/mol

Physical Properties
Molecular Weight: 320.751 g/mol	logS: -4.51931	SlogP: 3.7323	Reactive groups: 0

Topological Properties
Globularity: 0.0116897	Sterimol/B1: 2.49872	Sterimol/B2: 2.87415	Sterimol/B3: 3.33
Sterimol/B4: 5.40651	Sterimol/L: 19.139

Surface and Volume Properties
Accessible surface: 560.453	Positive charged surface: 275.727	Negative charged surface: 284.726	Volume: 282.375
Hydrophobic surface: 455.181	Hydrophilic surface: 105.272

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.