MMsINC Database Search


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MMsINC code: MMs02427293

Type: Neutral
Formula: C₁₀H₁₂N₂O₄

SMILES:

O=C(NO)Cc1ccc(cc1)CC(=O)NO

InChI:

InChI=1/C10H12N2O4/c13-9(11-15)5-7-1-2-8(4-3-7)6-10(14)12-16/h1-4,15-16H,5-6H2,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0462 kcal/mol

Physical Properties
Molecular Weight: 224.216 g/mol	logS: -1.61884	SlogP: -0.21766	Reactive groups: 0

Topological Properties
Globularity: 0.0589079	Sterimol/B1: 2.42013	Sterimol/B2: 2.88159	Sterimol/B3: 3.32948
Sterimol/B4: 4.81666	Sterimol/L: 16.2585

Surface and Volume Properties
Accessible surface: 445.277	Positive charged surface: 281.922	Negative charged surface: 163.355	Volume: 201.375
Hydrophobic surface: 194.798	Hydrophilic surface: 250.479

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: no related molecules available.