MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00877862

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

Oc1c2c([nH]cc2CC(=O)N)ccc1

InChI:

InChI=1/C10H10N2O2/c11-9(14)4-6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H,4H2,(H2,11,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.6842 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -1.62642	SlogP: 0.90127	Reactive groups: 0

Topological Properties
Globularity: 0.0823494	Sterimol/B1: 3.04224	Sterimol/B2: 3.14963	Sterimol/B3: 3.47642
Sterimol/B4: 5.20971	Sterimol/L: 11.5613

Surface and Volume Properties
Accessible surface: 380.177	Positive charged surface: 237.449	Negative charged surface: 139.146	Volume: 176.125
Hydrophobic surface: 195.396	Hydrophilic surface: 184.781

Pharmacophoric Properties
Hydrogen bond donors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.