MMsINC Database Search


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

MMsINC code: MMs01330367

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C(=O)CNC(=O)c1ccccc1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H20N2O4/c1-14(15-8-4-2-5-9-15)21-17(22)13-25-18(23)12-20-19(24)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,24)(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4365 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.20686	SlogP: 1.9325	Reactive groups: 1

Topological Properties
Globularity: 0.0216756	Sterimol/B1: 2.27275	Sterimol/B2: 2.2804	Sterimol/B3: 5.07893
Sterimol/B4: 6.21208	Sterimol/L: 21.2497

Surface and Volume Properties
Accessible surface: 648.065	Positive charged surface: 376.638	Negative charged surface: 271.427	Volume: 329.125
Hydrophobic surface: 493.23	Hydrophilic surface: 154.835

Pharmacophoric Properties
Hydrogen bond donors: 2	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.