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NCID-ZINC01732077

MMsINC code: MMs02354837

Type: Ionized
Formula: C₇H₂Cl₂FO₂-

SMILES:

Clc1c(cc(Cl)cc1F)C(=O)[O-]

InChI:

InChI=1/C7H3Cl2FO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,(H,11,12)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6181 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 207.995 g/mol	logS: -3.37829	SlogP: 1.496	Reactive groups: 0

Topological Properties
Globularity: 0.0327273	Sterimol/B1: 2.6842	Sterimol/B2: 2.69964	Sterimol/B3: 3.32954
Sterimol/B4: 5.91138	Sterimol/L: 9.31969

Surface and Volume Properties
Accessible surface: 334.841	Positive charged surface: 71.9927	Negative charged surface: 262.848	Volume: 148.25
Hydrophobic surface: 252.187	Hydrophilic surface: 82.654

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs02354836
NCID-ZINC01732077