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MMsINC code: MMs01992463

Type: Neutral
Formula: C₂₂H₁₇FN₂O₄

SMILES:

Fc1cc(ccc1C)C(=O)C1C(N(Cc2occc2)C(=O)C1=O)c1cccnc1

InChI:

InChI=1/C22H17FN2O4/c1-13-6-7-14(10-17(13)23)20(26)18-19(15-4-2-8-24-11-15)25(22(28)21(18)27)12-16-5-3-9-29-16/h2-11,18-19H,12H2,1H3/t18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6197 kcal/mol

Physical Properties
Molecular Weight: 392.386 g/mol	logS: -4.47772	SlogP: 3.63572	Reactive groups: 0

Topological Properties
Globularity: 0.134182	Sterimol/B1: 3.88891	Sterimol/B2: 5.0171	Sterimol/B3: 5.23963
Sterimol/B4: 7.61927	Sterimol/L: 15.6658

Surface and Volume Properties
Accessible surface: 627.663	Positive charged surface: 324.228	Negative charged surface: 303.435	Volume: 354
Hydrophobic surface: 502.403	Hydrophilic surface: 125.26

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

MMs01992465
IFLAB-ZINC02533803