MMsINC Database Search


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MMsINC code: MMs01557597

Type: Neutral
Formula: C₂₃H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OCC(=O)NCc2cc(OC)ccc2)cc1

InChI:

InChI=1/C23H20FNO4/c1-28-21-4-2-3-16(13-21)14-25-22(26)15-29-20-11-7-18(8-12-20)23(27)17-5-9-19(24)10-6-17/h2-13H,14-15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.749 kcal/mol

Physical Properties
Molecular Weight: 393.414 g/mol	logS: -5.7939	SlogP: 4.0269	Reactive groups: 0

Topological Properties
Globularity: 0.0370671	Sterimol/B1: 2.19585	Sterimol/B2: 2.54695	Sterimol/B3: 5.45436
Sterimol/B4: 6.40842	Sterimol/L: 22.627

Surface and Volume Properties
Accessible surface: 690.687	Positive charged surface: 409.705	Negative charged surface: 280.982	Volume: 369.25
Hydrophobic surface: 581.311	Hydrophilic surface: 109.376

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.