MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02281627

Type: Neutral
Formula: C₁₀H₂₂N₄O

SMILES:

ONC(NCCN1CCCCCCC1)=N

InChI:

InChI=1/C10H22N4O/c11-10(13-15)12-6-9-14-7-4-2-1-3-5-8-14/h15H,1-9H2,(H3,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2699 kcal/mol

Physical Properties
Molecular Weight: 214.313 g/mol	logS: -1.0835	SlogP: 0.75567	Reactive groups: 0

Topological Properties
Globularity: 0.0640216	Sterimol/B1: 2.78318	Sterimol/B2: 2.91156	Sterimol/B3: 3.32595
Sterimol/B4: 5.10231	Sterimol/L: 14.893

Surface and Volume Properties
Accessible surface: 444.637	Positive charged surface: 344.289	Negative charged surface: 100.349	Volume: 220.75
Hydrophobic surface: 282.186	Hydrophilic surface: 162.451

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02281628
NCID-ZINC01639358