MMsINC Database Search


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MMsINC code: MMs01393731

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccccc1OCC(=O)NC(Cc1ccccc1)C(=O)C

InChI:

InChI=1/C18H18FNO3/c1-13(21)16(11-14-7-3-2-4-8-14)20-18(22)12-23-17-10-6-5-9-15(17)19/h2-10,16H,11-12H2,1H3,(H,20,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7554 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -4.07089	SlogP: 2.52097	Reactive groups: 0

Topological Properties
Globularity: 0.090063	Sterimol/B1: 2.4883	Sterimol/B2: 3.5835	Sterimol/B3: 3.79104
Sterimol/B4: 9.67902	Sterimol/L: 14.929

Surface and Volume Properties
Accessible surface: 580.784	Positive charged surface: 309.813	Negative charged surface: 270.971	Volume: 302
Hydrophobic surface: 508.33	Hydrophilic surface: 72.454

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.