MMsINC Database Search


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

MMsINC code: MMs03168111

Type: Neutral
Formula: C₁₅H₂₀N₂O₅

SMILES:

O(Cc1ccccc1)C(=O)N(CC(=O)NC(C(OC)=O)C)C

InChI:

InChI=1/C15H20N2O5/c1-11(14(19)21-3)16-13(18)9-17(2)15(20)22-10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,18)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1723 kcal/mol

Physical Properties
Molecular Weight: 308.334 g/mol	logS: -2.40979	SlogP: 1.1991	Reactive groups: 0

Topological Properties
Globularity: 0.062334	Sterimol/B1: 2.08389	Sterimol/B2: 4.09108	Sterimol/B3: 4.29504
Sterimol/B4: 5.36407	Sterimol/L: 19.2545

Surface and Volume Properties
Accessible surface: 601.283	Positive charged surface: 430.232	Negative charged surface: 171.051	Volume: 296.875
Hydrophobic surface: 469.809	Hydrophilic surface: 131.474

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.