MMsINC Database Search


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MMsINC code: MMs03353354

Type: Neutral
Formula: C₁₇H₂₅N₅O₄

SMILES:

O(CN(COC)c1nc(nc(n1)N(COC)COC)-c1ccccc1)C

InChI:

InChI=1/C17H25N5O4/c1-23-10-21(11-24-2)16-18-15(14-8-6-5-7-9-14)19-17(20-16)22(12-25-3)13-26-4/h5-9H,10-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-30.2576 kcal/mol

Physical Properties
Molecular Weight: 363.418 g/mol	logS: -3.58672	SlogP: 1.567	Reactive groups: 0

Topological Properties
Globularity: 0.21291	Sterimol/B1: 2.44563	Sterimol/B2: 3.71853	Sterimol/B3: 6.56554
Sterimol/B4: 8.9632	Sterimol/L: 14.2656

Surface and Volume Properties
Accessible surface: 627.663	Positive charged surface: 503.248	Negative charged surface: 119.138	Volume: 355.125
Hydrophobic surface: 534.554	Hydrophilic surface: 93.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 7	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: 0

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Ions/Tautomers related molecules: no related molecules available.