MMsINC Database Search


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MMsINC code: MMs02238316

Type: Ionized
Formula: C₉H₉FNO₂-

SMILES:

FC(N)(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C9H10FNO2/c10-9(11,8(12)13)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)/p-1/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7158 kcal/mol

Physical Properties
Molecular Weight: 182.174 g/mol	logS: -1.74721	SlogP: 0.02337	Reactive groups: 0

Topological Properties
Globularity: 0.134413	Sterimol/B1: 3.2418	Sterimol/B2: 3.61857	Sterimol/B3: 3.62266
Sterimol/B4: 3.77391	Sterimol/L: 11.8187

Surface and Volume Properties
Accessible surface: 358.641	Positive charged surface: 174.027	Negative charged surface: 184.614	Volume: 165.25
Hydrophobic surface: 207.327	Hydrophilic surface: 151.314

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02238315
NCID-ZINC01580774