MMsINC Database Search


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MMsINC code: MMs01208734

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃

SMILES:

Fc1ccccc1C(=O)N1C(COC12CCCCC2)C(=O)NC1CC1

InChI:

InChI=1/C19H23FN2O3/c20-15-7-3-2-6-14(15)18(24)22-16(17(23)21-13-8-9-13)12-25-19(22)10-4-1-5-11-19/h2-3,6-7,13,16H,1,4-5,8-12H2,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=246.306 kcal/mol

Physical Properties
Molecular Weight: 346.402 g/mol	logS: -4.26353	SlogP: 2.6057	Reactive groups: 0

Topological Properties
Globularity: 0.124169	Sterimol/B1: 2.65459	Sterimol/B2: 4.10063	Sterimol/B3: 5.02432
Sterimol/B4: 6.80556	Sterimol/L: 13.8635

Surface and Volume Properties
Accessible surface: 538.482	Positive charged surface: 362.784	Negative charged surface: 175.699	Volume: 317.25
Hydrophobic surface: 465.241	Hydrophilic surface: 73.241

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.