MMsINC Database Search


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MMsINC code: MMs02625356

Type: Neutral
Formula: C₁₂H₁₄N₂O₃

SMILES:

O(C)c1cc2c([nH]c(C)c2CC(=O)NO)cc1

InChI:

InChI=1/C12H14N2O3/c1-7-9(6-12(15)14-16)10-5-8(17-2)3-4-11(10)13-7/h3-5,13,16H,6H2,1-2H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7712 kcal/mol

Physical Properties
Molecular Weight: 234.255 g/mol	logS: -2.15553	SlogP: 1.53279	Reactive groups: 0

Topological Properties
Globularity: 0.055992	Sterimol/B1: 2.2752	Sterimol/B2: 2.86334	Sterimol/B3: 3.34619
Sterimol/B4: 7.32382	Sterimol/L: 12.8341

Surface and Volume Properties
Accessible surface: 455.37	Positive charged surface: 303.301	Negative charged surface: 148.208	Volume: 221
Hydrophobic surface: 300.187	Hydrophilic surface: 155.183

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.