MMsINC Database Search


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MMsINC code: MMs02819862

Type: Neutral
Formula: C₁₉H₂₀N₄O

SMILES:

O(CCCc1c(nc(nc1N)N)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H20N4O/c20-18-16(12-7-13-24-15-10-5-2-6-11-15)17(22-19(21)23-18)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2,(H4,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7733 kcal/mol

Physical Properties
Molecular Weight: 320.396 g/mol	logS: -5.1192	SlogP: 3.31957	Reactive groups: 0

Topological Properties
Globularity: 0.101307	Sterimol/B1: 2.49804	Sterimol/B2: 3.47951	Sterimol/B3: 4.4617
Sterimol/B4: 9.65139	Sterimol/L: 16.9926

Surface and Volume Properties
Accessible surface: 603.597	Positive charged surface: 382.188	Negative charged surface: 219.541	Volume: 318
Hydrophobic surface: 427.257	Hydrophilic surface: 176.34

Pharmacophoric Properties
Hydrogen bond donors: 2	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.