MMsINC Database Search


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MMsINC code: MMs00872300

Type: Neutral
Formula: C₁₅H₁₃N₃O₃

SMILES:

o1nc(nc1-c1ccncc1)-c1cc(OC)c(OC)cc1

InChI:

InChI=1/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)14-17-15(21-18-14)10-5-7-16-8-6-10/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2304 kcal/mol

Physical Properties
Molecular Weight: 283.287 g/mol	logS: -4.88019	SlogP: 2.8158	Reactive groups: 0

Topological Properties
Globularity: 0.0055008	Sterimol/B1: 1.969	Sterimol/B2: 2.37358	Sterimol/B3: 2.37912
Sterimol/B4: 7.56872	Sterimol/L: 16.4417

Surface and Volume Properties
Accessible surface: 527.811	Positive charged surface: 378.315	Negative charged surface: 149.497	Volume: 262.25
Hydrophobic surface: 441.29	Hydrophilic surface: 86.521

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.