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NCID-ZINC04721575

MMsINC code: MMs02397126

Type: Neutral
Formula: C₈H₇FO₂

SMILES:

Fc1ccc(cc1C(O)=O)C

InChI:

InChI=1/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.4564 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 154.14 g/mol	logS: -2.12318	SlogP: 1.83232	Reactive groups: 0

Topological Properties
Globularity: 0.0190177	Sterimol/B1: 2.10381	Sterimol/B2: 2.40613	Sterimol/B3: 2.51225
Sterimol/B4: 5.74165	Sterimol/L: 9.93841

Surface and Volume Properties
Accessible surface: 321.226	Positive charged surface: 172.626	Negative charged surface: 148.6	Volume: 136.875
Hydrophobic surface: 229.136	Hydrophilic surface: 92.09

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02397127
NCID-ZINC04721575