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MMsINC code: MMs03071630

Type: Neutral
Formula: C₁₉H₁₅ClFNO₂

SMILES:

Clc1cc(F)c2nc(cc(c2c1)C(O)=O)-c1ccc(cc1)C(C)C

InChI:

InChI=1/C19H15ClFNO2/c1-10(2)11-3-5-12(6-4-11)17-9-15(19(23)24)14-7-13(20)8-16(21)18(14)22-17/h3-10H,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7126 kcal/mol

Physical Properties
Molecular Weight: 343.785 g/mol	logS: -6.87163	SlogP: 5.5159	Reactive groups: 0

Topological Properties
Globularity: 0.0280942	Sterimol/B1: 2.37176	Sterimol/B2: 4.87691	Sterimol/B3: 5.13779
Sterimol/B4: 5.81909	Sterimol/L: 17.4976

Surface and Volume Properties
Accessible surface: 566.27	Positive charged surface: 276.928	Negative charged surface: 278.271	Volume: 312.25
Hydrophobic surface: 417.794	Hydrophilic surface: 148.476

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03071631
PUBCHEM-ZINC03757082