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ACROSORGANICS-ZINC00152712

MMsINC code: MMs00004650

Type: Ionized
Formula: C₇H₃ClFO₂-

SMILES:

Clc1cc(ccc1F)C(=O)[O-]

InChI:

InChI=1/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.4719 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 173.55 g/mol	logS: -2.644	SlogP: 0.8426	Reactive groups: 0

Topological Properties
Globularity: 2.54561e-08	Sterimol/B1: 2.0971	Sterimol/B2: 2.09769	Sterimol/B3: 2.57797
Sterimol/B4: 5.75844	Sterimol/L: 9.61009

Surface and Volume Properties
Accessible surface: 311.536	Positive charged surface: 91.1442	Negative charged surface: 220.392	Volume: 133.625
Hydrophobic surface: 222.799	Hydrophilic surface: 88.737

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:

MMs00004649
ACROSORGANICS-ZINC00152712