MMsINC Database Search


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MMsINC code: MMs01586597

Type: Neutral
Formula: C₂₁H₂₃FN₂O₅

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)COC(=O)c1ccc(cc1)CO)CC

InChI:

InChI=1/C21H23FN2O5/c1-2-24(12-19(26)23-11-15-5-9-18(22)10-6-15)20(27)14-29-21(28)17-7-3-16(13-25)4-8-17/h3-10,25H,2,11-14H2,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9518 kcal/mol

Physical Properties
Molecular Weight: 402.422 g/mol	logS: -4.16687	SlogP: 2.1725	Reactive groups: 0

Topological Properties
Globularity: 0.0241885	Sterimol/B1: 2.2556	Sterimol/B2: 2.49833	Sterimol/B3: 4.3197
Sterimol/B4: 9.82763	Sterimol/L: 21.9944

Surface and Volume Properties
Accessible surface: 712.902	Positive charged surface: 430.679	Negative charged surface: 282.223	Volume: 376.75
Hydrophobic surface: 513.229	Hydrophilic surface: 199.673

Pharmacophoric Properties
Hydrogen bond donors: 2	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.