MMsINC Database Search


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MMsINC code: MMs01497019

Type: Neutral
Formula: C₂₀H₁₈FNO₄

SMILES:

Fc1ccccc1C(OCC(=O)c1cc(n(Cc2occc2)c1C)C)=O

InChI:

InChI=1/C20H18FNO4/c1-13-10-17(14(2)22(13)11-15-6-5-9-25-15)19(23)12-26-20(24)16-7-3-4-8-18(16)21/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8556 kcal/mol

Physical Properties
Molecular Weight: 355.365 g/mol	logS: -4.64432	SlogP: 4.19144	Reactive groups: 0

Topological Properties
Globularity: 0.047648	Sterimol/B1: 2.4096	Sterimol/B2: 3.48378	Sterimol/B3: 4.65265
Sterimol/B4: 7.07176	Sterimol/L: 18.5872

Surface and Volume Properties
Accessible surface: 613.445	Positive charged surface: 327.854	Negative charged surface: 285.591	Volume: 330.875
Hydrophobic surface: 527.377	Hydrophilic surface: 86.068

Pharmacophoric Properties
Hydrogen bond donors: 0	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.