MMsINC Database Search


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MMsINC code: MMs02645114

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O(C)c1nc(OC)nc2c1cccc2

InChI:

InChI=1/C10H10N2O2/c1-13-9-7-5-3-4-6-8(7)11-10(12-9)14-2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.2289 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -3.14818	SlogP: 1.647	Reactive groups: 0

Topological Properties
Globularity: 0.0186836	Sterimol/B1: 2.37436	Sterimol/B2: 2.37526	Sterimol/B3: 2.57366
Sterimol/B4: 6.66969	Sterimol/L: 11.7386

Surface and Volume Properties
Accessible surface: 388.926	Positive charged surface: 278.998	Negative charged surface: 104.245	Volume: 181
Hydrophobic surface: 322.969	Hydrophilic surface: 65.957

Pharmacophoric Properties
Hydrogen bond donors: 0	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.