MMsINC Database Search


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MMsINC code: MMs00279732

Type: Neutral
Formula: C₁₁H₁₃FN₂O₃

SMILES:

Fc1ccccc1NC(=O)C(=O)NCCOC

InChI:

InChI=1/C11H13FN2O3/c1-17-7-6-13-10(15)11(16)14-9-5-3-2-4-8(9)12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1325 kcal/mol

Physical Properties
Molecular Weight: 240.234 g/mol	logS: -2.19716	SlogP: 0.5268	Reactive groups: 0

Topological Properties
Globularity: 0.0371364	Sterimol/B1: 2.43268	Sterimol/B2: 2.56347	Sterimol/B3: 3.64815
Sterimol/B4: 5.58035	Sterimol/L: 15.5896

Surface and Volume Properties
Accessible surface: 477.425	Positive charged surface: 318.758	Negative charged surface: 158.667	Volume: 219.125
Hydrophobic surface: 374.163	Hydrophilic surface: 103.262

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.