MMsINC Database Search


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MMsINC code: MMs00242331

Type: Neutral
Formula: C₂₀H₁₉F₂NO₂

SMILES:

Fc1ccccc1C1(O)CC2N(C(C1)CC2)C(=O)c1ccc(F)cc1

InChI:

InChI=1/C20H19F2NO2/c21-14-7-5-13(6-8-14)19(24)23-15-9-10-16(23)12-20(25,11-15)17-3-1-2-4-18(17)22/h1-8,15-16,25H,9-12H2/t15-,16+,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=379.752 kcal/mol

Physical Properties
Molecular Weight: 343.373 g/mol	logS: -4.6851	SlogP: 3.9311	Reactive groups: 0

Topological Properties
Globularity: 0.136206	Sterimol/B1: 3.15746	Sterimol/B2: 4.08559	Sterimol/B3: 4.68625
Sterimol/B4: 5.20031	Sterimol/L: 14.853

Surface and Volume Properties
Accessible surface: 520.406	Positive charged surface: 287.966	Negative charged surface: 232.439	Volume: 302.25
Hydrophobic surface: 447.868	Hydrophilic surface: 72.538

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.