MMsINC Database Search


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MMsINC code: MMs00707406

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C17H17FN2O2/c1-11-3-8-15(9-12(11)2)20-17(22)16(21)19-10-13-4-6-14(18)7-5-13/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2221 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -4.77026	SlogP: 2.96384	Reactive groups: 0

Topological Properties
Globularity: 0.0402822	Sterimol/B1: 3.45003	Sterimol/B2: 3.6739	Sterimol/B3: 4.02455
Sterimol/B4: 5.07952	Sterimol/L: 17.7479

Surface and Volume Properties
Accessible surface: 568.631	Positive charged surface: 323.575	Negative charged surface: 245.056	Volume: 284.875
Hydrophobic surface: 465.27	Hydrophilic surface: 103.361

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.