MMsINC Database Search


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MMsINC code: MMs01536489

Type: Neutral
Formula: C₂₁H₁₆FNO₄

SMILES:

Fc1ccccc1NC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1

InChI:

InChI=1/C21H16FNO4/c22-18-3-1-2-4-19(18)23-20(25)13-27-21(26)16-7-5-14(6-8-16)15-9-11-17(24)12-10-15/h1-12,24H,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.511 kcal/mol

Physical Properties
Molecular Weight: 365.36 g/mol	logS: -6.12245	SlogP: 3.9938	Reactive groups: 0

Topological Properties
Globularity: 0.00556058	Sterimol/B1: 2.097	Sterimol/B2: 2.45852	Sterimol/B3: 3.1367
Sterimol/B4: 7.12	Sterimol/L: 21.3487

Surface and Volume Properties
Accessible surface: 627.951	Positive charged surface: 327.943	Negative charged surface: 289.698	Volume: 331.75
Hydrophobic surface: 495.619	Hydrophilic surface: 132.332

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.