MMsINC Database Search


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

MMsINC code: MMs03158746

Type: Neutral
Formula: C₁₉H₃₀N₂O₂

SMILES:

O=C(NC(CCCCCC)C)c1ccc(NC(=O)CCC)cc1

InChI:

InChI=1/C19H30N2O2/c1-4-6-7-8-10-15(3)20-19(23)16-11-13-17(14-12-16)21-18(22)9-5-2/h11-15H,4-10H2,1-3H3,(H,20,23)(H,21,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.5445 kcal/mol

Physical Properties
Molecular Weight: 318.461 g/mol	logS: -5.37452	SlogP: 4.5139	Reactive groups: 0

Topological Properties
Globularity: 0.0367719	Sterimol/B1: 2.07705	Sterimol/B2: 3.03053	Sterimol/B3: 4.12544
Sterimol/B4: 10.2368	Sterimol/L: 19.6455

Surface and Volume Properties
Accessible surface: 677.033	Positive charged surface: 483.175	Negative charged surface: 193.859	Volume: 347.25
Hydrophobic surface: 534.468	Hydrophilic surface: 142.565

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