MMsINC Database Search


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MMsINC code: MMs01423109

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccccc1OCCC(=O)NCc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C18H18FNO4/c1-23-18(22)14-8-6-13(7-9-14)12-20-17(21)10-11-24-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3299 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -3.93436	SlogP: 2.964	Reactive groups: 0

Topological Properties
Globularity: 0.0266415	Sterimol/B1: 3.1426	Sterimol/B2: 3.16763	Sterimol/B3: 4.25921
Sterimol/B4: 5.1444	Sterimol/L: 21.6447

Surface and Volume Properties
Accessible surface: 622.502	Positive charged surface: 395.525	Negative charged surface: 226.977	Volume: 309.75
Hydrophobic surface: 523.194	Hydrophilic surface: 99.308

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.