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MMsINC code: MMs02862420

Type: Neutral
Formula: C₂₀H₂₂F₂N₂O₃

SMILES:

FCCN(CCF)c1ccc(cc1)CC(NC(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C20H22F2N2O3/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18(20(26)27)23-19(25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,25)(H,26,27)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.452 kcal/mol

Physical Properties
Molecular Weight: 376.403 g/mol	logS: -3.93101	SlogP: 2.85767	Reactive groups: 1

Topological Properties
Globularity: 0.0990626	Sterimol/B1: 2.47833	Sterimol/B2: 3.47018	Sterimol/B3: 4.03539
Sterimol/B4: 10.1857	Sterimol/L: 14.914

Surface and Volume Properties
Accessible surface: 633.275	Positive charged surface: 361.62	Negative charged surface: 271.655	Volume: 350.125
Hydrophobic surface: 430.892	Hydrophilic surface: 202.383

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02862421
PUBCHEM-ZINC02038105