MMsINC Database Search


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MMsINC code: MMs01364511

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)Cc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H20FNO3/c24-21-12-8-18(9-13-21)15-25-22(26)16-28-23(27)14-17-6-10-20(11-7-17)19-4-2-1-3-5-19/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)=89.2805 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -6.48991	SlogP: 4.16117	Reactive groups: 1

Topological Properties
Globularity: 0.0435209	Sterimol/B1: 2.69271	Sterimol/B2: 3.62372	Sterimol/B3: 3.63252
Sterimol/B4: 6.10764	Sterimol/L: 22.6117

Surface and Volume Properties
Accessible surface: 696.167	Positive charged surface: 375.909	Negative charged surface: 309.186	Volume: 360.75
Hydrophobic surface: 601.934	Hydrophilic surface: 94.233

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.