MMsINC Database Search


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MMsINC code: MMs03333042

Type: Neutral
Formula: C₁₅H₂₀N₄O₂

SMILES:

OC(=O)c1c2c(ncnc2NCCN(CC)CC)ccc1

InChI:

InChI=1/C15H20N4O2/c1-3-19(4-2)9-8-16-14-13-11(15(20)21)6-5-7-12(13)17-10-18-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,21)(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7388 kcal/mol

Physical Properties
Molecular Weight: 288.351 g/mol	logS: -2.76385	SlogP: 2.0817	Reactive groups: 0

Topological Properties
Globularity: 0.0677693	Sterimol/B1: 2.25388	Sterimol/B2: 2.86358	Sterimol/B3: 5.05524
Sterimol/B4: 7.02637	Sterimol/L: 15.1762

Surface and Volume Properties
Accessible surface: 530.856	Positive charged surface: 363.253	Negative charged surface: 162.246	Volume: 280.375
Hydrophobic surface: 339.887	Hydrophilic surface: 190.969

Pharmacophoric Properties
Hydrogen bond donors: 3	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.