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MMsINC code: MMs03070706

Type: Neutral
Formula: C₁₇H₁₃ClFNO₂

SMILES:

Clc1ccc2c([nH]c(-c3ccc(F)cc3)c2CC(O)=O)c1C

InChI:

InChI=1/C17H13ClFNO2/c1-9-14(18)7-6-12-13(8-15(21)22)17(20-16(9)12)10-2-4-11(19)5-3-10/h2-7,20H,8H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1617 kcal/mol

Physical Properties
Molecular Weight: 317.747 g/mol	logS: -5.29057	SlogP: 4.56289	Reactive groups: 0

Topological Properties
Globularity: 0.0600242	Sterimol/B1: 2.38505	Sterimol/B2: 2.65044	Sterimol/B3: 3.58328
Sterimol/B4: 8.06799	Sterimol/L: 15.1872

Surface and Volume Properties
Accessible surface: 514.093	Positive charged surface: 242.904	Negative charged surface: 267.446	Volume: 279.375
Hydrophobic surface: 419.211	Hydrophilic surface: 94.882

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03070707
PUBCHEM-ZINC03755138