MMsINC Database Search


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MMsINC code: MMs02216280

Type: Neutral
Formula: C₁₉H₂₇FN₂O

SMILES:

Fc1cc(NC(=O)N(C2CCCCC2)C2CCCCC2)ccc1

InChI:

InChI=1/C19H27FN2O/c20-15-8-7-9-16(14-15)21-19(23)22(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18H,1-6,10-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3523 kcal/mol

Physical Properties
Molecular Weight: 318.436 g/mol	logS: -4.55946	SlogP: 5.325	Reactive groups: 0

Topological Properties
Globularity: 0.149672	Sterimol/B1: 3.57914	Sterimol/B2: 3.71033	Sterimol/B3: 4.09289
Sterimol/B4: 8.64318	Sterimol/L: 14.097

Surface and Volume Properties
Accessible surface: 559.972	Positive charged surface: 380.916	Negative charged surface: 179.056	Volume: 321.375
Hydrophobic surface: 555.488	Hydrophilic surface: 4.4839999999999

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.