MMsINC Database Search


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MMsINC code: MMs02215114

Type: Neutral
Formula: C₁₁H₁₂N₂O₂

SMILES:

O(C)c1cc2c([nH]cc2CC(=O)N)cc1

InChI:

InChI=1/C11H12N2O2/c1-15-8-2-3-10-9(5-8)7(6-13-10)4-11(12)14/h2-3,5-6,13H,4H2,1H3,(H2,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8663 kcal/mol

Physical Properties
Molecular Weight: 204.229 g/mol	logS: -2.03875	SlogP: 1.20427	Reactive groups: 0

Topological Properties
Globularity: 0.0513146	Sterimol/B1: 2.4496	Sterimol/B2: 2.8542	Sterimol/B3: 3.39184
Sterimol/B4: 6.44586	Sterimol/L: 12.1705

Surface and Volume Properties
Accessible surface: 415.598	Positive charged surface: 287.798	Negative charged surface: 124.007	Volume: 195.375
Hydrophobic surface: 255.942	Hydrophilic surface: 159.656

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.