MMsINC Database Search


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MMsINC code: MMs02237585

Type: Neutral
Formula: C₈H₆FNO₃

SMILES:

Fc1cc2c(OC(=O)NC2O)cc1

InChI:

InChI=1/C8H6FNO3/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3,7,11H,(H,10,12)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=2.5461 kcal/mol

Physical Properties
Molecular Weight: 183.138 g/mol	logS: -2.07957	SlogP: 1.0141	Reactive groups: 0

Topological Properties
Globularity: 0.032708	Sterimol/B1: 2.2807	Sterimol/B2: 2.90248	Sterimol/B3: 3.71262
Sterimol/B4: 4.29377	Sterimol/L: 9.72412

Surface and Volume Properties
Accessible surface: 331.201	Positive charged surface: 173.167	Negative charged surface: 158.034	Volume: 145.5
Hydrophobic surface: 191.826	Hydrophilic surface: 139.375

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.