MMsINC Database Search


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MMsINC code: MMs02315110

Type: Neutral
Formula: C₁₅H₁₀N₄O

SMILES:

Oc1ccccc1-c1[nH]c2nc3c(nc2n1)cccc3

InChI:

InChI=1/C15H10N4O/c20-12-8-4-1-5-9(12)13-18-14-15(19-13)17-11-7-3-2-6-10(11)16-14/h1-8,20H,(H,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5635 kcal/mol

Physical Properties
Molecular Weight: 262.272 g/mol	logS: -5.90161	SlogP: 2.8787	Reactive groups: 0

Topological Properties
Globularity: 0.00137043	Sterimol/B1: 2.14402	Sterimol/B2: 2.18247	Sterimol/B3: 2.64226
Sterimol/B4: 5.36905	Sterimol/L: 16.0335

Surface and Volume Properties
Accessible surface: 475.51	Positive charged surface: 276.347	Negative charged surface: 199.164	Volume: 239.125
Hydrophobic surface: 352.724	Hydrophilic surface: 122.786

Pharmacophoric Properties
Hydrogen bond donors: 4	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.