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MMsINC code: MMs01578720

Type: Neutral
Formula: C₁₆H₁₄ClFN₂O₃

SMILES:

Clc1cc(C(OCC(=O)Nc2cc(F)c(cc2)C)=O)c(N)cc1

InChI:

InChI=1/C16H14ClFN2O3/c1-9-2-4-11(7-13(9)18)20-15(21)8-23-16(22)12-6-10(17)3-5-14(12)19/h2-7H,8,19H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9564 kcal/mol

Physical Properties
Molecular Weight: 336.75 g/mol	logS: -4.67366	SlogP: 3.16522	Reactive groups: 0

Topological Properties
Globularity: 0.014174	Sterimol/B1: 2.67916	Sterimol/B2: 2.89376	Sterimol/B3: 4.75902
Sterimol/B4: 5.06107	Sterimol/L: 17.871

Surface and Volume Properties
Accessible surface: 575.363	Positive charged surface: 306.65	Negative charged surface: 268.714	Volume: 288.375
Hydrophobic surface: 449.329	Hydrophilic surface: 126.034

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.