MMsINC Database Search


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MMsINC code: MMs01056031

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

OC(=O)c1[nH]c2c(ccc(c2)C)c1CNC1CCCCCCC1

InChI:

InChI=1/C19H26N2O2/c1-13-9-10-15-16(18(19(22)23)21-17(15)11-13)12-20-14-7-5-3-2-4-6-8-14/h9-11,14,20-21H,2-8,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7485 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -4.5131	SlogP: 4.64342	Reactive groups: 0

Topological Properties
Globularity: 0.0680457	Sterimol/B1: 2.55378	Sterimol/B2: 3.73216	Sterimol/B3: 4.01672
Sterimol/B4: 8.7162	Sterimol/L: 15.6066

Surface and Volume Properties
Accessible surface: 571.264	Positive charged surface: 382.265	Negative charged surface: 185.074	Volume: 318.25
Hydrophobic surface: 444.901	Hydrophilic surface: 126.363

Pharmacophoric Properties
Hydrogen bond donors: 4	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.