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ACROSORGANICS-ZINC00155749

MMsINC code: MMs00005248

Type: Ionized
Formula: C₈H₅ClFO₂-

SMILES:

Clc1cc(F)ccc1CC(=O)[O-]

InChI:

InChI=1/C8H6ClFO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.3542 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 187.577 g/mol	logS: -2.70547	SlogP: 0.77147	Reactive groups: 0

Topological Properties
Globularity: 0.0978849	Sterimol/B1: 2.45613	Sterimol/B2: 2.79717	Sterimol/B3: 3.23834
Sterimol/B4: 6.14476	Sterimol/L: 9.93002

Surface and Volume Properties
Accessible surface: 335.027	Positive charged surface: 119.881	Negative charged surface: 215.146	Volume: 149.875
Hydrophobic surface: 251.377	Hydrophilic surface: 83.65

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:

MMs00005247
ACROSORGANICS-ZINC00155749