MMsINC Database Search


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MMsINC code: MMs03081040

Type: Neutral
Formula: C₁₀H₁₂N₂O₄

SMILES:

OC(=O)C(NC(=O)NO)Cc1ccccc1

InChI:

InChI=1/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5123 kcal/mol

Physical Properties
Molecular Weight: 224.216 g/mol	logS: -1.33892	SlogP: 0.37067	Reactive groups: 0

Topological Properties
Globularity: 0.160583	Sterimol/B1: 3.16437	Sterimol/B2: 3.6291	Sterimol/B3: 4.39205
Sterimol/B4: 6.15022	Sterimol/L: 10.8213

Surface and Volume Properties
Accessible surface: 427.718	Positive charged surface: 240.576	Negative charged surface: 187.142	Volume: 201.125
Hydrophobic surface: 213.021	Hydrophilic surface: 214.697

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs03081041
PUBCHEM-ZINC03872182