MMsINC Database Search


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MMsINC code: MMs01387134

Type: Neutral
Formula: C₂₃H₂₀F₃NO

SMILES:

FC(F)(F)c1ccc(cc1)CCNC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H20F3NO/c24-23(25,26)20-13-11-17(12-14-20)15-16-27-22(28)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.554 kcal/mol

Physical Properties
Molecular Weight: 383.413 g/mol	logS: -6.12086	SlogP: 5.50767	Reactive groups: 0

Topological Properties
Globularity: 0.0915583	Sterimol/B1: 2.4792	Sterimol/B2: 3.60551	Sterimol/B3: 4.31024
Sterimol/B4: 8.87728	Sterimol/L: 17.5851

Surface and Volume Properties
Accessible surface: 655.035	Positive charged surface: 325.018	Negative charged surface: 330.016	Volume: 358.625
Hydrophobic surface: 521.014	Hydrophilic surface: 134.021

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.