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MMsINC code: MMs03953809

Type: Neutral
Formula: C₁₅H₁₉N₅O₂

SMILES:

o1c2c(nc1N\C(=N/C(=O)NC1CCCCC1)\N)cccc2

InChI:

InChI=1/C15H19N5O2/c16-13(19-14(21)17-10-6-2-1-3-7-10)20-15-18-11-8-4-5-9-12(11)22-15/h4-5,8-10H,1-3,6-7H2,(H4,16,17,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-6.97489 kcal/mol

Physical Properties
Molecular Weight: 301.35 g/mol	logS: -4.56037	SlogP: 2.5967	Reactive groups: 0

Topological Properties
Globularity: 0.0374869	Sterimol/B1: 3.31609	Sterimol/B2: 3.32736	Sterimol/B3: 3.54752
Sterimol/B4: 7.62816	Sterimol/L: 16.6796

Surface and Volume Properties
Accessible surface: 557.731	Positive charged surface: 399.797	Negative charged surface: 157.933	Volume: 283
Hydrophobic surface: 383.179	Hydrophilic surface: 174.552

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.