MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03752912

Type: Neutral
Formula: C₆H₇NO₃

SMILES:

Oc1ccc(N(O)O)cc1

InChI:

InChI=1/C6H7NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.3938 kcal/mol

Physical Properties
Molecular Weight: 141.126 g/mol	logS: -0.35059	SlogP: 0.977	Reactive groups: 0

Topological Properties
Globularity: 0.00661506	Sterimol/B1: 2.12427	Sterimol/B2: 2.17409	Sterimol/B3: 2.42019
Sterimol/B4: 4.82532	Sterimol/L: 10.2781

Surface and Volume Properties
Accessible surface: 307.495	Positive charged surface: 175.713	Negative charged surface: 131.782	Volume: 125.5
Hydrophobic surface: 163.643	Hydrophilic surface: 143.852

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.