MMsINC Database Search


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MMsINC code: MMs01887889

Type: Neutral
Formula: C₁₁H₁₁N₃O₃

SMILES:

OC=1N(Cc2ccccc2)C(=O)NC(=O)C=1N

InChI:

InChI=1/C11H11N3O3/c12-8-9(15)13-11(17)14(10(8)16)6-7-4-2-1-3-5-7/h1-5,16H,6,12H2,(H,13,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.6409 kcal/mol

Physical Properties
Molecular Weight: 233.227 g/mol	logS: -1.79516	SlogP: 0.6906	Reactive groups: 0

Topological Properties
Globularity: 0.138198	Sterimol/B1: 2.1814	Sterimol/B2: 3.53898	Sterimol/B3: 4.73778
Sterimol/B4: 4.95855	Sterimol/L: 11.8234

Surface and Volume Properties
Accessible surface: 412.323	Positive charged surface: 252.976	Negative charged surface: 159.348	Volume: 205.75
Hydrophobic surface: 215.823	Hydrophilic surface: 196.5

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.