MMsINC Database Search


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MMsINC code: MMs02004861

Type: Neutral
Formula: C₂₂H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCc1ccc(cc1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C22H25FN2O2/c23-19-13-11-17(12-14-19)21(26)24-15-16-7-9-18(10-8-16)22(27)25-20-5-3-1-2-4-6-20/h7-14,20H,1-6,15H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1737 kcal/mol

Physical Properties
Molecular Weight: 368.452 g/mol	logS: -5.72638	SlogP: 4.4747	Reactive groups: 0

Topological Properties
Globularity: 0.0358838	Sterimol/B1: 2.44277	Sterimol/B2: 2.75272	Sterimol/B3: 4.68809
Sterimol/B4: 6.77865	Sterimol/L: 20.6888

Surface and Volume Properties
Accessible surface: 662.96	Positive charged surface: 403.043	Negative charged surface: 259.917	Volume: 360.125
Hydrophobic surface: 582.746	Hydrophilic surface: 80.214

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.