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MMsINC code: MMs02234617

Type: Neutral
Formula: C₁₀H₂₀N₆O₄

SMILES:

OC(=O)CNC(=O)CNC(=O)C(N)CCCNC(N)=N

InChI:

InChI=1/C10H20N6O4/c11-6(2-1-3-14-10(12)13)9(20)16-4-7(17)15-5-8(18)19/h6H,1-5,11H2,(H,15,17)(H,16,20)(H,18,19)(H4,12,13,14)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.52358 kcal/mol

Physical Properties
Molecular Weight: 288.308 g/mol	logS: -0.34696	SlogP: -3.10603	Reactive groups: 0

Topological Properties
Globularity: 0.0310258	Sterimol/B1: 2.84625	Sterimol/B2: 2.89832	Sterimol/B3: 3.10777
Sterimol/B4: 6.66658	Sterimol/L: 19.4093

Surface and Volume Properties
Accessible surface: 557.116	Positive charged surface: 396.897	Negative charged surface: 160.219	Volume: 261.125
Hydrophobic surface: 158.698	Hydrophilic surface: 398.418

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02234618
NCID-ZINC01575998