MMsINC Database Search


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MMsINC code: MMs03674858

Type: Neutral
Formula: C₁₉H₂₇FN₂O

SMILES:

Fc1ccccc1CN(C(=O)NC1CCCCC1)C1CCCC1

InChI:

InChI=1/C19H27FN2O/c20-18-13-7-4-8-15(18)14-22(17-11-5-6-12-17)19(23)21-16-9-2-1-3-10-16/h4,7-8,13,16-17H,1-3,5-6,9-12,14H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5102 kcal/mol

Physical Properties
Molecular Weight: 318.436 g/mol	logS: -3.98828	SlogP: 4.879	Reactive groups: 0

Topological Properties
Globularity: 0.0805989	Sterimol/B1: 2.51797	Sterimol/B2: 3.52596	Sterimol/B3: 4.50522
Sterimol/B4: 8.54379	Sterimol/L: 14.4504

Surface and Volume Properties
Accessible surface: 564.221	Positive charged surface: 403.34	Negative charged surface: 160.88	Volume: 323
Hydrophobic surface: 538.839	Hydrophilic surface: 25.382

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.