MMsINC Database Search


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MMsINC code: MMs01621213

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccc(NC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3595 kcal/mol

Physical Properties
Molecular Weight: 320.751 g/mol	logS: -4.65506	SlogP: 3.61867	Reactive groups: 0

Topological Properties
Globularity: 0.0658104	Sterimol/B1: 2.75774	Sterimol/B2: 3.49189	Sterimol/B3: 5.20897
Sterimol/B4: 5.3269	Sterimol/L: 16.9257

Surface and Volume Properties
Accessible surface: 547.72	Positive charged surface: 287.963	Negative charged surface: 259.758	Volume: 286.25
Hydrophobic surface: 462.68	Hydrophilic surface: 85.04

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.