MMsINC Database Search


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MMsINC code: MMs00528657

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O=C(C(=O)N)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C11H10N2O2/c1-6-9(10(14)11(12)15)7-4-2-3-5-8(7)13-6/h2-5,13H,1H3,(H2,12,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9066 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.57164	SlogP: 1.14432	Reactive groups: 0

Topological Properties
Globularity: 0.0655332	Sterimol/B1: 2.47655	Sterimol/B2: 3.30859	Sterimol/B3: 3.59916
Sterimol/B4: 6.79843	Sterimol/L: 11.7206

Surface and Volume Properties
Accessible surface: 401.747	Positive charged surface: 219.955	Negative charged surface: 177.387	Volume: 190.75
Hydrophobic surface: 240.775	Hydrophilic surface: 160.972

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.