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NCID-ZINC01595319

MMsINC code: MMs02249653

Type: Ionized
Formula: C₆H₃FNO₂-

SMILES:

Fc1nccc(c1)C(=O)[O-]

InChI:

InChI=1/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.3649 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 140.093 g/mol	logS: -0.96283	SlogP: -0.4158	Reactive groups: 0

Topological Properties
Globularity: 2.52464e-08	Sterimol/B1: 2.09737	Sterimol/B2: 2.09759	Sterimol/B3: 2.46395
Sterimol/B4: 4.86668	Sterimol/L: 8.64513

Surface and Volume Properties
Accessible surface: 276.636	Positive charged surface: 117.245	Negative charged surface: 159.392	Volume: 111.875
Hydrophobic surface: 153.138	Hydrophilic surface: 123.498

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Parent related molecule:

MMs02249652
NCID-ZINC01595319