MMsINC Database Search


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MMsINC code: MMs01349954

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1ccccc1CNC(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C18H20FNO/c1-18(2,3)15-10-8-13(9-11-15)17(21)20-12-14-6-4-5-7-16(14)19/h4-11H,12H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3356 kcal/mol

Physical Properties
Molecular Weight: 285.362 g/mol	logS: -5.61347	SlogP: 4.3196	Reactive groups: 0

Topological Properties
Globularity: 0.0604055	Sterimol/B1: 2.39652	Sterimol/B2: 4.05424	Sterimol/B3: 4.65241
Sterimol/B4: 5.07815	Sterimol/L: 16.0789

Surface and Volume Properties
Accessible surface: 547.576	Positive charged surface: 317.213	Negative charged surface: 230.363	Volume: 291.5
Hydrophobic surface: 449.421	Hydrophilic surface: 98.155

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.