MMsINC Database Search


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MMsINC code: MMs01418517

Type: Neutral
Formula: C₁₁H₁₂N₂O₄

SMILES:

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

InChI:

InChI=1/C11H12N2O4/c1-12-11(16)13-9(14)7-17-10(15)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.5498 kcal/mol

Physical Properties
Molecular Weight: 236.227 g/mol	logS: -2.16771	SlogP: 0.299	Reactive groups: 0

Topological Properties
Globularity: 0.00582423	Sterimol/B1: 2.37527	Sterimol/B2: 2.37573	Sterimol/B3: 3.59177
Sterimol/B4: 4.68004	Sterimol/L: 16.8434

Surface and Volume Properties
Accessible surface: 464.445	Positive charged surface: 301.299	Negative charged surface: 163.146	Volume: 216
Hydrophobic surface: 317.388	Hydrophilic surface: 147.057

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.