MMsINC Database Search


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MMsINC code: MMs01458417

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(CC)c1ccccc1CN1C(=O)C2(NC1=O)CCCCCCC2

InChI:

InChI=1/C19H26N2O3/c1-2-24-16-11-7-6-10-15(16)14-21-17(22)19(20-18(21)23)12-8-4-3-5-9-13-19/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.945 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -4.68156	SlogP: 3.8866	Reactive groups: 0

Topological Properties
Globularity: 0.137425	Sterimol/B1: 2.05974	Sterimol/B2: 3.74162	Sterimol/B3: 4.13331
Sterimol/B4: 8.68779	Sterimol/L: 14.4751

Surface and Volume Properties
Accessible surface: 557.863	Positive charged surface: 400.718	Negative charged surface: 157.145	Volume: 326.75
Hydrophobic surface: 473.022	Hydrophilic surface: 84.841

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.