MMsINC Database Search


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MMsINC code: MMs01337288

Type: Neutral
Formula: C₂₁H₁₈FNO₃

SMILES:

Fc1ccc(cc1)CCNC(=O)COC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C21H18FNO3/c22-19-9-5-15(6-10-19)11-12-23-20(24)14-26-21(25)18-8-7-16-3-1-2-4-17(16)13-18/h1-10,13H,11-12,14H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0161 kcal/mol

Physical Properties
Molecular Weight: 351.377 g/mol	logS: -5.94141	SlogP: 3.49457	Reactive groups: 0

Topological Properties
Globularity: 0.0193398	Sterimol/B1: 3.20603	Sterimol/B2: 3.61843	Sterimol/B3: 3.6198
Sterimol/B4: 5.36427	Sterimol/L: 21.8521

Surface and Volume Properties
Accessible surface: 651.069	Positive charged surface: 353.228	Negative charged surface: 286.77	Volume: 333.25
Hydrophobic surface: 559.325	Hydrophilic surface: 91.744

Pharmacophoric Properties
Hydrogen bond donors: 1	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.