MMsINC Database Search


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MMsINC code: MMs03508906

Type: Neutral
Formula: C₁₄H₁₈F₃NO

SMILES:

FC(F)(F)c1ccccc1NC(=O)CCCCCC

InChI:

InChI=1/C14H18F3NO/c1-2-3-4-5-10-13(19)18-12-9-7-6-8-11(12)14(15,16)17/h6-9H,2-5,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5122 kcal/mol

Physical Properties
Molecular Weight: 273.298 g/mol	logS: -4.91353	SlogP: 4.9258	Reactive groups: 0

Topological Properties
Globularity: 0.0216567	Sterimol/B1: 2.54307	Sterimol/B2: 3.11917	Sterimol/B3: 4.25986
Sterimol/B4: 4.6292	Sterimol/L: 17.0227

Surface and Volume Properties
Accessible surface: 507.986	Positive charged surface: 297.999	Negative charged surface: 209.987	Volume: 253.625
Hydrophobic surface: 363.826	Hydrophilic surface: 144.16

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.