MMsINC Database Search


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MMsINC code: MMs01150211

Type: Neutral
Formula: C₁₉H₂₅N₅O₂

SMILES:

O(C)c1ccccc1NC(=O)N1Cc2c(nc(nc2N(CC)C)C)CC1

InChI:

InChI=1/C19H25N5O2/c1-5-23(3)18-14-12-24(11-10-15(14)20-13(2)21-18)19(25)22-16-8-6-7-9-17(16)26-4/h6-9H,5,10-12H2,1-4H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1905 kcal/mol

Physical Properties
Molecular Weight: 355.442 g/mol	logS: -2.9383	SlogP: 3.10629	Reactive groups: 0

Topological Properties
Globularity: 0.121838	Sterimol/B1: 2.11818	Sterimol/B2: 2.22889	Sterimol/B3: 6.516
Sterimol/B4: 8.95338	Sterimol/L: 16.3899

Surface and Volume Properties
Accessible surface: 634.839	Positive charged surface: 483.926	Negative charged surface: 150.913	Volume: 349.875
Hydrophobic surface: 550.642	Hydrophilic surface: 84.197

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.