MMsINC Database Search


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MMsINC code: MMs01469294

Type: Neutral
Formula: C₁₄H₁₇FN₂O₂

SMILES:

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

InChI:

InChI=1/C14H17FN2O2/c1-9(2)7-12-13(18)17(14(19)16-12)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.2814 kcal/mol

Physical Properties
Molecular Weight: 264.3 g/mol	logS: -3.65679	SlogP: 2.5586	Reactive groups: 0

Topological Properties
Globularity: 0.124959	Sterimol/B1: 2.3339	Sterimol/B2: 2.86669	Sterimol/B3: 4.7507
Sterimol/B4: 5.90665	Sterimol/L: 13.4233

Surface and Volume Properties
Accessible surface: 481.25	Positive charged surface: 297.266	Negative charged surface: 183.984	Volume: 250.125
Hydrophobic surface: 339.451	Hydrophilic surface: 141.799

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.