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MMsINC code: MMs00863581

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O₃

SMILES:

Fc1ccc(cc1)C1N(CCN(C)C)C(=O)C(=O)C1C(=O)c1ccc(F)cc1

InChI:

InChI=1/C21H20F2N2O3/c1-24(2)11-12-25-18(13-3-7-15(22)8-4-13)17(20(27)21(25)28)19(26)14-5-9-16(23)10-6-14/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8438 kcal/mol

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

Topological Properties
Globularity: 0.166432	Sterimol/B1: 2.36997	Sterimol/B2: 4.40942	Sterimol/B3: 6.21425
Sterimol/B4: 6.42565	Sterimol/L: 15.7126

Surface and Volume Properties
Accessible surface: 594.757	Positive charged surface: 360.066	Negative charged surface: 234.69	Volume: 351
Hydrophobic surface: 493.733	Hydrophilic surface: 101.024

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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Ions/Tautomers related molecules

MMs00863582
CHEMDIV-ZINC01166015