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ACROSORGANICS-ZINC00156863

MMsINC code: MMs00005495

Type: Ionized
Formula: C₇H₄ClO₂-

SMILES:

Clc1cc(ccc1)C(=O)[O-]

InChI:

InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.1905 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 155.56 g/mol	logS: -2.34902	SlogP: 0.7035	Reactive groups: 0

Topological Properties
Globularity: 1.73167e-08	Sterimol/B1: 2.09727	Sterimol/B2: 2.09756	Sterimol/B3: 2.47366
Sterimol/B4: 5.85078	Sterimol/L: 9.36503

Surface and Volume Properties
Accessible surface: 307.101	Positive charged surface: 99.0049	Negative charged surface: 208.096	Volume: 132.125
Hydrophobic surface: 219.52	Hydrophilic surface: 87.581

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

search links for this molecule:

Parent related molecule:

MMs00005494
ACROSORGANICS-ZINC00156863