MMsINC Database Search


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MMsINC code: MMs01547352

Type: Neutral
Formula: C₂₃H₂₀FNO₄

SMILES:

Fc1ccc(cc1)CCNC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.362 kcal/mol

Physical Properties
Molecular Weight: 393.414 g/mol	logS: -6.12796	SlogP: 3.71397	Reactive groups: 0

Topological Properties
Globularity: 0.014986	Sterimol/B1: 2.43866	Sterimol/B2: 4.37012	Sterimol/B3: 4.81949
Sterimol/B4: 5.47566	Sterimol/L: 23.561

Surface and Volume Properties
Accessible surface: 690.706	Positive charged surface: 380.993	Negative charged surface: 299.596	Volume: 369.375
Hydrophobic surface: 548.99	Hydrophilic surface: 141.716

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.