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MMsINC code: MMs00693716

Type: Neutral
Formula: C₁₆H₂₄N₆O₄

SMILES:

O1CCN(CC1)c1nc2N(C)C(=O)NC(=O)c2n1CCN1CCOCC1

InChI:

InChI=1/C16H24N6O4/c1-19-13-12(14(23)18-16(19)24)22(3-2-20-4-8-25-9-5-20)15(17-13)21-6-10-26-11-7-21/h2-11H2,1H3,(H,18,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3978 kcal/mol

Physical Properties
Molecular Weight: 364.406 g/mol	logS: -1.80432	SlogP: -0.3821	Reactive groups: 0

Topological Properties
Globularity: 0.123203	Sterimol/B1: 2.80406	Sterimol/B2: 4.36012	Sterimol/B3: 4.4039
Sterimol/B4: 8.18777	Sterimol/L: 14.7798

Surface and Volume Properties
Accessible surface: 595.129	Positive charged surface: 508.139	Negative charged surface: 86.9904	Volume: 330.125
Hydrophobic surface: 431.946	Hydrophilic surface: 163.183

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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

MMs00693717
CHEMBRIDGE-ZINC01275781