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NCID-ZINC05700829

MMsINC code: MMs02486882

Type: Ionized
Formula: C₇H₄NO₃-

SMILES:

O=C([O-])c1ccccc1N=O

InChI:

InChI=1/C7H5NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.883 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 150.113 g/mol	logS: -2.07167	SlogP: 0.448	Reactive groups: 0

Topological Properties
Globularity: 0.032358	Sterimol/B1: 2.53461	Sterimol/B2: 2.5813	Sterimol/B3: 2.70379
Sterimol/B4: 6.21034	Sterimol/L: 9.34649

Surface and Volume Properties
Accessible surface: 307.581	Positive charged surface: 104.188	Negative charged surface: 203.393	Volume: 128.125
Hydrophobic surface: 212.713	Hydrophilic surface: 94.868

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02486881
NCID-ZINC05700829