MMsINC Database Search


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MMsINC code: MMs00695695

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O₃

SMILES:

Fc1ccccc1C1N(CCN(C)C)C(=O)C(=O)C1C(=O)c1ccc(F)cc1

InChI:

InChI=1/C21H20F2N2O3/c1-24(2)11-12-25-18(15-5-3-4-6-16(15)23)17(20(27)21(25)28)19(26)13-7-9-14(22)10-8-13/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8275 kcal/mol

Physical Properties
Molecular Weight: 386.398 g/mol	logS: -4.24879	SlogP: 2.5734	Reactive groups: 0

Topological Properties
Globularity: 0.128287	Sterimol/B1: 2.47555	Sterimol/B2: 2.48078	Sterimol/B3: 5.98081
Sterimol/B4: 9.14084	Sterimol/L: 16.9292

Surface and Volume Properties
Accessible surface: 619.235	Positive charged surface: 360.982	Negative charged surface: 258.252	Volume: 350.875
Hydrophobic surface: 524.612	Hydrophilic surface: 94.623

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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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