MMsINC Database Search


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MMsINC code: MMs01430232

Type: Neutral
Formula: C₂₃H₂₀FNO₄

SMILES:

Fc1ccccc1OCCOC(=O)c1ccccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C23H20FNO4/c24-19-11-5-7-13-21(19)28-14-15-29-23(27)18-10-4-6-12-20(18)25-22(26)16-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.712 kcal/mol

Physical Properties
Molecular Weight: 393.414 g/mol	logS: -5.93777	SlogP: 4.24267	Reactive groups: 0

Topological Properties
Globularity: 0.0580923	Sterimol/B1: 2.79556	Sterimol/B2: 3.42078	Sterimol/B3: 5.04759
Sterimol/B4: 7.1279	Sterimol/L: 21.5097

Surface and Volume Properties
Accessible surface: 701.595	Positive charged surface: 415.101	Negative charged surface: 286.495	Volume: 369.375
Hydrophobic surface: 642.08	Hydrophilic surface: 59.515

Pharmacophoric Properties
Hydrogen bond donors: 1	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.