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MMsINC code: MMs02802388

Type: Neutral
Formula: C₂₀H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C(CC)(C(=O)NC2CCCCC2)C)C(=O)C1

InChI:

InChI=1/C20H27FN2O2/c1-3-20(2,19(25)22-16-7-5-4-6-8-16)23-17(13-18(23)24)14-9-11-15(21)12-10-14/h9-12,16-17H,3-8,13H2,1-2H3,(H,22,25)/t17-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3681 kcal/mol

Physical Properties
Molecular Weight: 346.446 g/mol	logS: -4.25066	SlogP: 3.8122	Reactive groups: 0

Topological Properties
Globularity: 0.167582	Sterimol/B1: 2.45438	Sterimol/B2: 4.12542	Sterimol/B3: 4.79589
Sterimol/B4: 9.22123	Sterimol/L: 15.569

Surface and Volume Properties
Accessible surface: 577.812	Positive charged surface: 349.27	Negative charged surface: 185.498	Volume: 346.625
Hydrophobic surface: 513.16	Hydrophilic surface: 64.652

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.