MMsINC Database Search


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MMsINC code: MMs00596394

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O1c2cc(ccc2OC1)CNC(=O)C1CC(=O)N(C1)C1CCCCC1

InChI:

InChI=1/C19H24N2O4/c22-18-9-14(11-21(18)15-4-2-1-3-5-15)19(23)20-10-13-6-7-16-17(8-13)25-12-24-16/h6-8,14-15H,1-5,9-12H2,(H,20,23)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0342 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -2.81107	SlogP: 2.4791	Reactive groups: 0

Topological Properties
Globularity: 0.0524726	Sterimol/B1: 2.78278	Sterimol/B2: 3.35815	Sterimol/B3: 4.14459
Sterimol/B4: 5.83097	Sterimol/L: 19.3178

Surface and Volume Properties
Accessible surface: 605.602	Positive charged surface: 441.428	Negative charged surface: 164.175	Volume: 331.125
Hydrophobic surface: 483.233	Hydrophilic surface: 122.369

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.