MMsINC Database Search


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MMsINC code: MMs00002681

Type: Neutral
Formula: C₇H₇NO₃

SMILES:

Oc1ccccc1C(=O)NO

InChI:

InChI=1/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5734 kcal/mol

Physical Properties
Molecular Weight: 153.137 g/mol	logS: -1.07844	SlogP: 0.5112	Reactive groups: 0

Topological Properties
Globularity: 0.00618551	Sterimol/B1: 2.097	Sterimol/B2: 2.26624	Sterimol/B3: 2.53786
Sterimol/B4: 5.81553	Sterimol/L: 10.8562

Surface and Volume Properties
Accessible surface: 322.133	Positive charged surface: 178.201	Negative charged surface: 143.932	Volume: 136.25
Hydrophobic surface: 162.904	Hydrophilic surface: 159.229

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

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Ions/Tautomers related molecules: no related molecules available.