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MMsINC code: MMs01133137

Type: Neutral
Formula: C₁₉H₂₅N₅O₂

SMILES:

O=C(N(CCC(C)C)CCC(=O)NCc1ncccc1)c1nccnc1

InChI:

InChI=1/C19H25N5O2/c1-15(2)6-11-24(19(26)17-14-20-9-10-22-17)12-7-18(25)23-13-16-5-3-4-8-21-16/h3-5,8-10,14-15H,6-7,11-13H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5196 kcal/mol

Physical Properties
Molecular Weight: 355.442 g/mol	logS: -1.33825	SlogP: 2.3328	Reactive groups: 0

Topological Properties
Globularity: 0.060379	Sterimol/B1: 2.67127	Sterimol/B2: 3.11614	Sterimol/B3: 4.65387
Sterimol/B4: 8.99098	Sterimol/L: 17.9187

Surface and Volume Properties
Accessible surface: 655.42	Positive charged surface: 487.333	Negative charged surface: 168.087	Volume: 357.25
Hydrophobic surface: 507.056	Hydrophilic surface: 148.364

Pharmacophoric Properties
Hydrogen bond donors: 1	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.