MMsINC Database Search


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

MMsINC code: MMs01671006

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccc(N(C)C)cc1)C(=O)C

InChI:

InChI=1/C18H20N2O3/c1-13(21)23-12-14-4-6-15(7-5-14)18(22)19-16-8-10-17(11-9-16)20(2)3/h4-11H,12H2,1-3H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8642 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.67137	SlogP: 3.3344	Reactive groups: 0

Topological Properties
Globularity: 0.0264435	Sterimol/B1: 2.44457	Sterimol/B2: 2.62047	Sterimol/B3: 4.68064
Sterimol/B4: 5.15948	Sterimol/L: 20.366

Surface and Volume Properties
Accessible surface: 599.435	Positive charged surface: 397.264	Negative charged surface: 202.171	Volume: 308.875
Hydrophobic surface: 512.843	Hydrophilic surface: 86.592

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.