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ACROSORGANICS-ZINC00128843

MMsINC code: MMs00004350

Type: Ionized
Formula: C₇H₃FIO₂-

SMILES:

Ic1cccc(F)c1C(=O)[O-]

InChI:

InChI=1/C7H4FIO2/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)=21.9817 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 265.001 g/mol	logS: -2.90123	SlogP: 0.7938	Reactive groups: 0

Topological Properties
Globularity: 0.0541668	Sterimol/B1: 2.94626	Sterimol/B2: 2.94679	Sterimol/B3: 3.99551
Sterimol/B4: 5.28935	Sterimol/L: 9.23067

Surface and Volume Properties
Accessible surface: 329.36	Positive charged surface: 85.6277	Negative charged surface: 243.733	Volume: 149.375
Hydrophobic surface: 253.04	Hydrophilic surface: 76.32

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:

MMs00004349
ACROSORGANICS-ZINC00128843