MMsINC Database Search


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MMsINC code: MMs00119151

Type: Neutral
Formula: C₁₈H₂₀FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C18H20FNO/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(19)11-5-13/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)=65.1651 kcal/mol

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

Topological Properties
Globularity: 0.0614898	Sterimol/B1: 2.37496	Sterimol/B2: 3.97681	Sterimol/B3: 4.79803
Sterimol/B4: 4.87427	Sterimol/L: 16.2768

Surface and Volume Properties
Accessible surface: 554.59	Positive charged surface: 316.289	Negative charged surface: 238.3	Volume: 291.5
Hydrophobic surface: 455.839	Hydrophilic surface: 98.751

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.