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MMsINC code: MMs02201986

Type: Neutral
Formula: C₁₀H₁₀N₂O₄

SMILES:

OC(=O)c1ccccc1NC(=O)C(=O)NC

InChI:

InChI=1/C10H10N2O4/c1-11-8(13)9(14)12-7-5-3-2-4-6(7)10(15)16/h2-5H,1H3,(H,11,13)(H,12,14)(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9795 kcal/mol

Physical Properties
Molecular Weight: 222.2 g/mol	logS: -1.72894	SlogP: 0.0693	Reactive groups: 0

Topological Properties
Globularity: 0.0181328	Sterimol/B1: 2.15641	Sterimol/B2: 2.56135	Sterimol/B3: 4.81887
Sterimol/B4: 5.01813	Sterimol/L: 13.37

Surface and Volume Properties
Accessible surface: 418.551	Positive charged surface: 272.569	Negative charged surface: 145.982	Volume: 192.75
Hydrophobic surface: 237.834	Hydrophilic surface: 180.717

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

MMs02201987
NANOSIN-ZINC02030207