MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00843104

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(C)c1ccc(cc1)CN1CC(CC1=O)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H26N2O3/c1-24-17-9-7-14(8-10-17)12-21-13-15(11-18(21)22)19(23)20-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H,20,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4819 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -2.90635	SlogP: 2.759	Reactive groups: 0

Topological Properties
Globularity: 0.0513209	Sterimol/B1: 2.09788	Sterimol/B2: 3.47526	Sterimol/B3: 3.67223
Sterimol/B4: 7.20284	Sterimol/L: 18.9124

Surface and Volume Properties
Accessible surface: 617.16	Positive charged surface: 459.646	Negative charged surface: 157.514	Volume: 333.25
Hydrophobic surface: 524.794	Hydrophilic surface: 92.366

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.