MMsINC Database Search


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MMsINC code: MMs02327451

Type: Neutral
Formula: C₁₅H₁₈F₃NO

SMILES:

FC(F)(F)c1cc(ccc1)CC1(NC=O)CCCCC1

InChI:

InChI=1/C15H18F3NO/c16-15(17,18)13-6-4-5-12(9-13)10-14(19-11-20)7-2-1-3-8-14/h4-6,9,11H,1-3,7-8,10H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9524 kcal/mol

Physical Properties
Molecular Weight: 285.309 g/mol	logS: -4.01645	SlogP: 4.00827	Reactive groups: 0

Topological Properties
Globularity: 0.148358	Sterimol/B1: 2.87651	Sterimol/B2: 2.9555	Sterimol/B3: 4.29388
Sterimol/B4: 5.80157	Sterimol/L: 13.0736

Surface and Volume Properties
Accessible surface: 463.107	Positive charged surface: 252.382	Negative charged surface: 210.725	Volume: 256.75
Hydrophobic surface: 317.796	Hydrophilic surface: 145.311

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.