MMsINC Database Search


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MMsINC code: MMs01578582

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1cc(NC(=O)COc2ccc(cc2)C(OCC)=O)ccc1C

InChI:

InChI=1/C18H18FNO4/c1-3-23-18(22)13-5-8-15(9-6-13)24-11-17(21)20-14-7-4-12(2)16(19)10-14/h4-10H,3,11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6194 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -4.59608	SlogP: 3.32832	Reactive groups: 0

Topological Properties
Globularity: 0.00890356	Sterimol/B1: 2.26148	Sterimol/B2: 2.51725	Sterimol/B3: 2.74045
Sterimol/B4: 6.40143	Sterimol/L: 21.378

Surface and Volume Properties
Accessible surface: 614.878	Positive charged surface: 374.296	Negative charged surface: 240.581	Volume: 311
Hydrophobic surface: 498.703	Hydrophilic surface: 116.175

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.