MMsINC Database Search


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MMsINC code: MMs03127960

Type: Neutral
Formula: C₁₀H₂₀N₄O₂

SMILES:

O=C1NCCNCCCNCCNC(=O)C1

InChI:

InChI=1/C10H20N4O2/c15-9-8-10(16)14-7-5-12-3-1-2-11-4-6-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.3171 kcal/mol

Physical Properties
Molecular Weight: 228.296 g/mol	logS: 0.29791	SlogP: -1.8082	Reactive groups: 0

Topological Properties
Globularity: 0.137942	Sterimol/B1: 2.5202	Sterimol/B2: 2.57456	Sterimol/B3: 3.43937
Sterimol/B4: 8.48943	Sterimol/L: 10.9537

Surface and Volume Properties
Accessible surface: 417.171	Positive charged surface: 325.727	Negative charged surface: 91.4434	Volume: 227.25
Hydrophobic surface: 305.473	Hydrophilic surface: 111.698

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03127962
PUBCHEM-ZINC04521850