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MMsINC code: MMs03143991

Type: Neutral
Formula: C₁₇H₁₁ClFNO₃

SMILES:

Clc1cc(F)ccc1Cn1c2c(cccc2)c(C=O)c1C(O)=O

InChI:

InChI=1/C17H11ClFNO3/c18-14-7-11(19)6-5-10(14)8-20-15-4-2-1-3-12(15)13(9-21)16(20)17(22)23/h1-7,9H,8H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.986 kcal/mol

Physical Properties
Molecular Weight: 331.73 g/mol	logS: -4.49439	SlogP: 4.2592	Reactive groups: 1

Topological Properties
Globularity: 0.166353	Sterimol/B1: 3.1862	Sterimol/B2: 3.22426	Sterimol/B3: 4.15499
Sterimol/B4: 7.75597	Sterimol/L: 12.2008

Surface and Volume Properties
Accessible surface: 490.518	Positive charged surface: 229.745	Negative charged surface: 255.588	Volume: 280
Hydrophobic surface: 360.164	Hydrophilic surface: 130.354

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03143992
PUBCHEM-ZINC04636236