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ACROSORGANICS-ZINC00156274

MMsINC code: MMs00005391

Type: Ionized
Formula: C₇H₃ClFO₂-

SMILES:

Clc1cccc(F)c1C(=O)[O-]

InChI:

InChI=1/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/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)=17.7831 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: 0.0547216	Sterimol/B1: 2.94648	Sterimol/B2: 2.94663	Sterimol/B3: 3.91052
Sterimol/B4: 4.7363	Sterimol/L: 9.23406

Surface and Volume Properties
Accessible surface: 308.155	Positive charged surface: 88.1759	Negative charged surface: 219.979	Volume: 134
Hydrophobic surface: 228.523	Hydrophilic surface: 79.632

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:

MMs00005390
ACROSORGANICS-ZINC00156274