MMsINC Database Search


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MMsINC code: MMs03435045

Type: Neutral
Formula: C₂₀H₂₀F₃NO

SMILES:

FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NC1CCCCC1

InChI:

InChI=1/C20H20F3NO/c21-20(22,23)15-12-10-14(11-13-15)17-8-4-5-9-18(17)19(25)24-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.052 kcal/mol

Physical Properties
Molecular Weight: 347.38 g/mol	logS: -6.48508	SlogP: 5.7464	Reactive groups: 0

Topological Properties
Globularity: 0.0913293	Sterimol/B1: 2.75993	Sterimol/B2: 3.50041	Sterimol/B3: 3.64406
Sterimol/B4: 10.0887	Sterimol/L: 14.0853

Surface and Volume Properties
Accessible surface: 588.409	Positive charged surface: 326.814	Negative charged surface: 258.808	Volume: 319.5
Hydrophobic surface: 471.401	Hydrophilic surface: 117.008

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.