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MMsINC code: MMs02858841

Type: Neutral
Formula: C₁₁H₁₁ClFNO₃

SMILES:

ClCC(=O)NC(Cc1ccccc1F)C(O)=O

InChI:

InChI=1/C11H11ClFNO3/c12-6-10(15)14-9(11(16)17)5-7-3-1-2-4-8(7)13/h1-4,9H,5-6H2,(H,14,15)(H,16,17)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3645 kcal/mol

Physical Properties
Molecular Weight: 259.664 g/mol	logS: -2.64858	SlogP: 1.17637	Reactive groups: 1

Topological Properties
Globularity: 0.180993	Sterimol/B1: 2.64042	Sterimol/B2: 4.4878	Sterimol/B3: 4.59116
Sterimol/B4: 5.91311	Sterimol/L: 11.1023

Surface and Volume Properties
Accessible surface: 450.994	Positive charged surface: 213.377	Negative charged surface: 237.617	Volume: 219
Hydrophobic surface: 260.275	Hydrophilic surface: 190.719

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02858842
PUBCHEM-ZINC02030288