MMsINC Database Search


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MMsINC code: MMs01444060

Type: Neutral
Formula: C₁₂H₁₅FN₂O₃

SMILES:

Fc1ccccc1C(=O)NCC(=O)NCCOC

InChI:

InChI=1/C12H15FN2O3/c1-18-7-6-14-11(16)8-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.212 kcal/mol

Physical Properties
Molecular Weight: 254.261 g/mol	logS: -2.1412	SlogP: 0.3181	Reactive groups: 0

Topological Properties
Globularity: 0.0161348	Sterimol/B1: 2.36946	Sterimol/B2: 3.28483	Sterimol/B3: 3.48463
Sterimol/B4: 4.82723	Sterimol/L: 17.3565

Surface and Volume Properties
Accessible surface: 505.848	Positive charged surface: 348.739	Negative charged surface: 157.109	Volume: 233.5
Hydrophobic surface: 402.971	Hydrophilic surface: 102.877

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.