MMsINC Database Search


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MMsINC code: MMs00654447

Type: Neutral
Formula: C₁₂H₁₀FNO₂

SMILES:

Fc1ccccc1CNC(=O)c1occc1

InChI:

InChI=1/C12H10FNO2/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.9425 kcal/mol

Physical Properties
Molecular Weight: 219.215 g/mol	logS: -3.34546	SlogP: 2.6151	Reactive groups: 0

Topological Properties
Globularity: 0.0857144	Sterimol/B1: 2.4147	Sterimol/B2: 4.00844	Sterimol/B3: 4.05131
Sterimol/B4: 5.03387	Sterimol/L: 14.1868

Surface and Volume Properties
Accessible surface: 434.462	Positive charged surface: 218.225	Negative charged surface: 216.237	Volume: 201.75
Hydrophobic surface: 371.383	Hydrophilic surface: 63.079

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.