MMsINC Database Search


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MMsINC code: MMs00472836

Type: Neutral
Formula: C₁₁H₁₁FN₂O₂

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)C

InChI:

InChI=1/C11H11FN2O2/c1-7-10(15)14(11(16)13-7)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,16)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.23576 kcal/mol

Physical Properties
Molecular Weight: 222.219 g/mol	logS: -2.42458	SlogP: 1.5324	Reactive groups: 0

Topological Properties
Globularity: 0.177734	Sterimol/B1: 2.20901	Sterimol/B2: 2.79257	Sterimol/B3: 4.63918
Sterimol/B4: 5.64905	Sterimol/L: 11.1265

Surface and Volume Properties
Accessible surface: 396.097	Positive charged surface: 238.763	Negative charged surface: 157.335	Volume: 198
Hydrophobic surface: 270.099	Hydrophilic surface: 125.998

Pharmacophoric Properties
Hydrogen bond donors: 1	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.