MMsINC Database Search


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MMsINC code: MMs00001108

Type: Ionized
Formula: C₁₁H₉FNO₂-

SMILES:

Fc1cc2c([nH]c(C)c2CC(=O)[O-])cc1

InChI:

InChI=1/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.0278 kcal/mol

Physical Properties
Molecular Weight: 206.196 g/mol	logS: -2.57447	SlogP: 0.90779	Reactive groups: 0

Topological Properties
Globularity: 0.0651828	Sterimol/B1: 2.54811	Sterimol/B2: 2.70235	Sterimol/B3: 3.40154
Sterimol/B4: 6.67915	Sterimol/L: 10.5774

Surface and Volume Properties
Accessible surface: 380.952	Positive charged surface: 182.569	Negative charged surface: 193.286	Volume: 185.625
Hydrophobic surface: 274.26	Hydrophilic surface: 106.692

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs00001107
ACDBLOCKS-ZINC02582690