MMsINC Database Search


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MMsINC code: MMs02635146

Type: Neutral
Formula: C₁₆H₁₇FN₂O₂

SMILES:

Fc1ccc(NC(=O)NCCc2ccc(OC)cc2)cc1

InChI:

InChI=1/C16H17FN2O2/c1-21-15-8-2-12(3-9-15)10-11-18-16(20)19-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2778 kcal/mol

Physical Properties
Molecular Weight: 288.322 g/mol	logS: -3.60292	SlogP: 3.19847	Reactive groups: 0

Topological Properties
Globularity: 0.036488	Sterimol/B1: 3.07485	Sterimol/B2: 3.49595	Sterimol/B3: 3.89654
Sterimol/B4: 5.31819	Sterimol/L: 18.9754

Surface and Volume Properties
Accessible surface: 556.481	Positive charged surface: 351.523	Negative charged surface: 204.958	Volume: 276.375
Hydrophobic surface: 479.717	Hydrophilic surface: 76.764

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.