MMsINC Database Search


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MMsINC code: MMs02657189

Type: Neutral
Formula: C₁₁H₁₀N₂O₂

SMILES:

O=Cc1[nH]c2c(cccc2)c1NC(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2811 kcal/mol

Physical Properties
Molecular Weight: 202.213 g/mol	logS: -2.04326	SlogP: 1.9388	Reactive groups: 1

Topological Properties
Globularity: 0.0223028	Sterimol/B1: 2.55431	Sterimol/B2: 2.66387	Sterimol/B3: 3.44126
Sterimol/B4: 7.27008	Sterimol/L: 11.4861

Surface and Volume Properties
Accessible surface: 392.815	Positive charged surface: 229.244	Negative charged surface: 159.502	Volume: 188.625
Hydrophobic surface: 260.867	Hydrophilic surface: 131.948

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.