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APOLLO-ZINC01701210

MMsINC code: MMs00049846

Type: Ionized
Formula: C₇H₄FO₃-

SMILES:

Fc1cccc(C(=O)[O-])c1O

InChI:

InChI=1/C7H5FO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.5874 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 155.104 g/mol	logS: -1.54776	SlogP: -0.1052	Reactive groups: 0

Topological Properties
Globularity: 2.38479e-08	Sterimol/B1: 2.09708	Sterimol/B2: 2.0976	Sterimol/B3: 2.80467
Sterimol/B4: 5.12582	Sterimol/L: 9.28874

Surface and Volume Properties
Accessible surface: 292.092	Positive charged surface: 116.541	Negative charged surface: 175.551	Volume: 124.5
Hydrophobic surface: 179.577	Hydrophilic surface: 112.515

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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:

MMs00049845
APOLLO-ZINC01701210