MMsINC Database Search


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MMsINC code: MMs02891105

Type: Neutral
Formula: C₂₂H₂₅FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)C1(CCCC1)c1ccccc1

InChI:

InChI=1/C22H25FN2O/c23-19-10-4-5-11-20(19)24-14-16-25(17-15-24)21(26)22(12-6-7-13-22)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.737 kcal/mol

Physical Properties
Molecular Weight: 352.453 g/mol	logS: -4.984	SlogP: 3.9863	Reactive groups: 0

Topological Properties
Globularity: 0.143338	Sterimol/B1: 2.46928	Sterimol/B2: 3.11669	Sterimol/B3: 5.33049
Sterimol/B4: 8.36147	Sterimol/L: 14.9191

Surface and Volume Properties
Accessible surface: 587.795	Positive charged surface: 370.964	Negative charged surface: 216.831	Volume: 350.125
Hydrophobic surface: 557.738	Hydrophilic surface: 30.057

Pharmacophoric Properties
Hydrogen bond donors: 0	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.