MMsINC Database Search


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MMsINC code: MMs01345213

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(C(=O)c1ccc(N(C)C)cc1)CC(=O)NCCC=1CCCCC=1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8233 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -3.83394	SlogP: 2.9161	Reactive groups: 0

Topological Properties
Globularity: 0.0203789	Sterimol/B1: 3.42787	Sterimol/B2: 3.5666	Sterimol/B3: 4.19053
Sterimol/B4: 4.91995	Sterimol/L: 21.5709

Surface and Volume Properties
Accessible surface: 650.827	Positive charged surface: 485.322	Negative charged surface: 165.505	Volume: 341.25
Hydrophobic surface: 550.526	Hydrophilic surface: 100.301

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.