MMsINC Database Search


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MMsINC code: MMs02145319

Type: Neutral
Formula: C₁₁H₁₁FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(=O)NC1CC1

InChI:

InChI=1/C11H11FN2O2/c12-9-4-2-1-3-8(9)10(15)14-11(16)13-7-5-6-7/h1-4,7H,5-6H2,(H2,13,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3748 kcal/mol

Physical Properties
Molecular Weight: 222.219 g/mol	logS: -2.6069	SlogP: 1.4275	Reactive groups: 0

Topological Properties
Globularity: 0.020232	Sterimol/B1: 2.55569	Sterimol/B2: 2.72395	Sterimol/B3: 2.92683
Sterimol/B4: 5.59168	Sterimol/L: 14.5339

Surface and Volume Properties
Accessible surface: 433.269	Positive charged surface: 244.692	Negative charged surface: 188.577	Volume: 201.25
Hydrophobic surface: 299.232	Hydrophilic surface: 134.037

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: no related molecules available.