MMsINC Database Search


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

MMsINC code: MMs02284434

Type: Neutral
Formula: C₁₉H₂₈N₂O₅

SMILES:

O(Cc1ccccc1)C(=O)C(NC(=O)CNC(OC(C)(C)C)=O)C(C)C

InChI:

InChI=1/C19H28N2O5/c1-13(2)16(17(23)25-12-14-9-7-6-8-10-14)21-15(22)11-20-18(24)26-19(3,4)5/h6-10,13,16H,11-12H2,1-5H3,(H,20,24)(H,21,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2545 kcal/mol

Physical Properties
Molecular Weight: 364.442 g/mol	logS: -3.90095	SlogP: 2.6617	Reactive groups: 0

Topological Properties
Globularity: 0.0364494	Sterimol/B1: 2.53333	Sterimol/B2: 3.58764	Sterimol/B3: 3.60154
Sterimol/B4: 6.42326	Sterimol/L: 21.6234

Surface and Volume Properties
Accessible surface: 677.805	Positive charged surface: 454.606	Negative charged surface: 223.199	Volume: 360.25
Hydrophobic surface: 473.711	Hydrophilic surface: 204.094

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.