MMsINC Database Search


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MMsINC code: MMs02100656

Type: Neutral
Formula: C₁₉H₂₀FNO₂

SMILES:

Fc1ccc(cc1)C(=O)N1c2c(OCC1C(C)(C)C)cccc2

InChI:

InChI=1/C19H20FNO2/c1-19(2,3)17-12-23-16-7-5-4-6-15(16)21(17)18(22)13-8-10-14(20)11-9-13/h4-11,17H,12H2,1-3H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=248.14 kcal/mol

Physical Properties
Molecular Weight: 313.372 g/mol	logS: -4.6756	SlogP: 4.2796	Reactive groups: 0

Topological Properties
Globularity: 0.14486	Sterimol/B1: 3.23761	Sterimol/B2: 3.37278	Sterimol/B3: 4.83844
Sterimol/B4: 6.77213	Sterimol/L: 14.4947

Surface and Volume Properties
Accessible surface: 493.236	Positive charged surface: 278.325	Negative charged surface: 214.911	Volume: 296.375
Hydrophobic surface: 424.218	Hydrophilic surface: 69.018

Pharmacophoric Properties
Hydrogen bond donors: 0	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.