MMsINC Database Search


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MMsINC code: MMs00724790

Type: Neutral
Formula: C₁₆H₁₅FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)CC)cc1

InChI:

InChI=1/C16H15FN2O2/c1-2-15(20)19-14-6-4-3-5-13(14)16(21)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6003 kcal/mol

Physical Properties
Molecular Weight: 286.306 g/mol	logS: -4.06107	SlogP: 3.4265	Reactive groups: 0

Topological Properties
Globularity: 0.0174305	Sterimol/B1: 2.51917	Sterimol/B2: 2.56756	Sterimol/B3: 3.12142
Sterimol/B4: 8.87478	Sterimol/L: 14.9626

Surface and Volume Properties
Accessible surface: 518.271	Positive charged surface: 299.714	Negative charged surface: 218.557	Volume: 268
Hydrophobic surface: 436.921	Hydrophilic surface: 81.35

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.