MMsINC Database Search


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MMsINC code: MMs03022157

Type: Neutral
Formula: C₁₂H₁₆N₂O₄

SMILES:

O(CC(Cc1ccccc1)COC(=O)N)C(=O)N

InChI:

InChI=1/C12H16N2O4/c13-11(15)17-7-10(8-18-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.30834 kcal/mol

Physical Properties
Molecular Weight: 252.27 g/mol	logS: -2.207	SlogP: 1.03587	Reactive groups: 0

Topological Properties
Globularity: 0.103634	Sterimol/B1: 3.02539	Sterimol/B2: 3.93104	Sterimol/B3: 4.57568
Sterimol/B4: 5.14751	Sterimol/L: 14.073

Surface and Volume Properties
Accessible surface: 481.862	Positive charged surface: 307.954	Negative charged surface: 173.908	Volume: 237.25
Hydrophobic surface: 260.65	Hydrophilic surface: 221.212

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.