MMsINC Database Search


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MMsINC code: MMs01405040

Type: Neutral
Formula: C₂₀H₂₀FNO₅

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)\C=C\c1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H20FNO5/c1-25-17-9-5-14(11-18(17)26-2)6-10-20(24)27-13-19(23)22-12-15-3-7-16(21)8-4-15/h3-11H,12-13H2,1-2H3,(H,22,23)/b10-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6994 kcal/mol

Physical Properties
Molecular Weight: 373.38 g/mol	logS: -4.60864	SlogP: 2.9821	Reactive groups: 0

Topological Properties
Globularity: 0.0170118	Sterimol/B1: 1.969	Sterimol/B2: 3.61862	Sterimol/B3: 3.61967
Sterimol/B4: 7.58437	Sterimol/L: 22.5103

Surface and Volume Properties
Accessible surface: 690.662	Positive charged surface: 444.519	Negative charged surface: 246.143	Volume: 349
Hydrophobic surface: 569.609	Hydrophilic surface: 121.053

Pharmacophoric Properties
Hydrogen bond donors: 1	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.