MMsINC Database Search


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MMsINC code: MMs01432896

Type: Neutral
Formula: C₂₃H₂₁F₂NO₂

SMILES:

FC(F)Oc1cc(ccc1)C(=O)NCCC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H21F2NO2/c24-23(25)28-20-13-7-12-19(16-20)22(27)26-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,23H,14-15H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.815 kcal/mol

Physical Properties
Molecular Weight: 381.422 g/mol	logS: -5.33886	SlogP: 5.6599	Reactive groups: 0

Topological Properties
Globularity: 0.0695793	Sterimol/B1: 2.42526	Sterimol/B2: 3.301	Sterimol/B3: 5.04525
Sterimol/B4: 8.70568	Sterimol/L: 18.6164

Surface and Volume Properties
Accessible surface: 662.958	Positive charged surface: 356.803	Negative charged surface: 306.155	Volume: 362.25
Hydrophobic surface: 532.299	Hydrophilic surface: 130.659

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.