MMsINC Database Search


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MMsINC code: MMs01247059

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccc(cc1)C(OC(C(=O)Nc1ccc(cc1)CC)C)=O

InChI:

InChI=1/C18H18FNO3/c1-3-13-4-10-16(11-5-13)20-17(21)12(2)23-18(22)14-6-8-15(19)9-7-14/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5081 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -5.37437	SlogP: 3.57207	Reactive groups: 0

Topological Properties
Globularity: 0.0339971	Sterimol/B1: 2.36799	Sterimol/B2: 2.9687	Sterimol/B3: 4.14902
Sterimol/B4: 6.19511	Sterimol/L: 18.6528

Surface and Volume Properties
Accessible surface: 590.878	Positive charged surface: 333.551	Negative charged surface: 257.327	Volume: 303.25
Hydrophobic surface: 479.664	Hydrophilic surface: 111.214

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.