MMsINC Database Search


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MMsINC code: MMs01705788

Type: Neutral
Formula: C₁₆H₁₈FNO₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C2(CC1=O)CCCCC2

InChI:

InChI=1/C16H18FNO2/c17-13-6-4-12(5-7-13)11-18-14(19)10-16(15(18)20)8-2-1-3-9-16/h4-7H,1-3,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2234 kcal/mol

Physical Properties
Molecular Weight: 275.323 g/mol	logS: -3.86715	SlogP: 3.3015	Reactive groups: 0

Topological Properties
Globularity: 0.147857	Sterimol/B1: 2.98183	Sterimol/B2: 3.29737	Sterimol/B3: 4.52801
Sterimol/B4: 5.93885	Sterimol/L: 12.9548

Surface and Volume Properties
Accessible surface: 472.091	Positive charged surface: 298.721	Negative charged surface: 173.37	Volume: 260.875
Hydrophobic surface: 418.207	Hydrophilic surface: 53.884

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.