MMsINC Database Search


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MMsINC code: MMs01460239

Type: Neutral
Formula: C₂₁H₁₈FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1cc2c(cc1OC)cccc2

InChI:

InChI=1/C21H18FNO4/c1-26-19-11-16-5-3-2-4-15(16)10-18(19)21(25)27-13-20(24)23-12-14-6-8-17(22)9-7-14/h2-11H,12-13H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3757 kcal/mol

Physical Properties
Molecular Weight: 367.376 g/mol	logS: -5.93032	SlogP: 3.7271	Reactive groups: 0

Topological Properties
Globularity: 0.0228703	Sterimol/B1: 2.51759	Sterimol/B2: 3.61759	Sterimol/B3: 3.62095
Sterimol/B4: 9.29628	Sterimol/L: 20.4607

Surface and Volume Properties
Accessible surface: 656.594	Positive charged surface: 391.663	Negative charged surface: 253.86	Volume: 340.25
Hydrophobic surface: 565.013	Hydrophilic surface: 91.581

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.