MMsINC Database Search


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MMsINC code: MMs03640014

Type: Neutral
Formula: C₁₇H₁₇FN₂O

SMILES:

Fc1ccc(cc1)CNC(=O)N1CCc2c(C1)cccc2

InChI:

InChI=1/C17H17FN2O/c18-16-7-5-13(6-8-16)11-19-17(21)20-10-9-14-3-1-2-4-15(14)12-20/h1-8H,9-12H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4371 kcal/mol

Physical Properties
Molecular Weight: 284.334 g/mol	logS: -3.51299	SlogP: 3.62637	Reactive groups: 0

Topological Properties
Globularity: 0.0765789	Sterimol/B1: 3.29955	Sterimol/B2: 3.34431	Sterimol/B3: 3.91844
Sterimol/B4: 6.55976	Sterimol/L: 15.1762

Surface and Volume Properties
Accessible surface: 530.839	Positive charged surface: 316.485	Negative charged surface: 214.354	Volume: 275.125
Hydrophobic surface: 481.763	Hydrophilic surface: 49.076

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.