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MMsINC code: MMs03451497

Type: Neutral
Formula: C₁₀H₁₁N₃O₄

SMILES:

OC(=O)C(N(N=O)C(=O)N)Cc1ccccc1

InChI:

InChI=1/C10H11N3O4/c11-10(16)13(12-17)8(9(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,16)(H,14,15)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9932 kcal/mol

Physical Properties
Molecular Weight: 237.215 g/mol	logS: -1.96888	SlogP: 0.74437	Reactive groups: 0

Topological Properties
Globularity: 0.266518	Sterimol/B1: 3.34134	Sterimol/B2: 3.68943	Sterimol/B3: 4.10003
Sterimol/B4: 4.98407	Sterimol/L: 11.5229

Surface and Volume Properties
Accessible surface: 411.49	Positive charged surface: 213.014	Negative charged surface: 198.476	Volume: 204.125
Hydrophobic surface: 238.534	Hydrophilic surface: 172.956

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03451498
PUBCHEM-ZINC05933594