MMsINC Database Search


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MMsINC code: MMs01508513

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1CC(=O)Nc1ccc(cc1)C(OCCCC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2457 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.13725	SlogP: 3.96377	Reactive groups: 0

Topological Properties
Globularity: 0.0300382	Sterimol/B1: 3.57399	Sterimol/B2: 3.72299	Sterimol/B3: 4.06047
Sterimol/B4: 4.36849	Sterimol/L: 21.1019

Surface and Volume Properties
Accessible surface: 626.883	Positive charged surface: 394.629	Negative charged surface: 232.255	Volume: 319.75
Hydrophobic surface: 527.769	Hydrophilic surface: 99.114

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.