MMsINC Database Search


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MMsINC code: MMs01441426

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(NC(=O)COc1ccc(cc1)C(=O)CC)C

InChI:

InChI=1/C19H20FNO3/c1-3-18(22)15-6-10-17(11-7-15)24-12-19(23)21-13(2)14-4-8-16(20)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2109 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -4.51196	SlogP: 3.7701	Reactive groups: 0

Topological Properties
Globularity: 0.0278505	Sterimol/B1: 3.31494	Sterimol/B2: 3.47946	Sterimol/B3: 3.7119
Sterimol/B4: 6.1515	Sterimol/L: 19.2906

Surface and Volume Properties
Accessible surface: 608.989	Positive charged surface: 353.969	Negative charged surface: 255.02	Volume: 318.5
Hydrophobic surface: 490.631	Hydrophilic surface: 118.358

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.