MMsINC Database Search


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MMsINC code: MMs02155348

Type: Neutral
Formula: C₁₉H₂₂FNO

SMILES:

Fc1ccccc1-c1ccc(cc1)C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C19H22FNO/c1-13(2)21(14(3)4)19(22)16-11-9-15(10-12-16)17-7-5-6-8-18(17)20/h5-14H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=254.092 kcal/mol

Physical Properties
Molecular Weight: 299.389 g/mol	logS: -5.45522	SlogP: 4.7517	Reactive groups: 0

Topological Properties
Globularity: 0.0861227	Sterimol/B1: 2.19738	Sterimol/B2: 3.11029	Sterimol/B3: 5.21048
Sterimol/B4: 6.00059	Sterimol/L: 16.5913

Surface and Volume Properties
Accessible surface: 533.49	Positive charged surface: 306.203	Negative charged surface: 222.737	Volume: 303.125
Hydrophobic surface: 437.652	Hydrophilic surface: 95.838

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.