MMsINC Database Search


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MMsINC code: MMs01666103

Type: Neutral
Formula: C₁₇H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)CCC(=O)NCCc1ncccc1

InChI:

InChI=1/C17H17FN2O2/c18-14-6-4-13(5-7-14)16(21)8-9-17(22)20-12-10-15-3-1-2-11-19-15/h1-7,11H,8-10,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1862 kcal/mol

Physical Properties
Molecular Weight: 300.333 g/mol	logS: -2.64533	SlogP: 2.54247	Reactive groups: 0

Topological Properties
Globularity: 0.0173731	Sterimol/B1: 2.19296	Sterimol/B2: 3.87173	Sterimol/B3: 3.95003
Sterimol/B4: 4.22363	Sterimol/L: 19.773

Surface and Volume Properties
Accessible surface: 579.35	Positive charged surface: 356.871	Negative charged surface: 222.479	Volume: 290.125
Hydrophobic surface: 491.663	Hydrophilic surface: 87.687

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.