MMsINC Database Search


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MMsINC code: MMs02341924

Type: Neutral
Formula: C₁₀H₂₄N₆

SMILES:

N(C(=N)C(N(CCNC)C)=N)(CCNC)C

InChI:

InChI=1/C10H24N6/c1-13-5-7-15(3)9(11)10(12)16(4)8-6-14-2/h11-14H,5-8H2,1-4H3/b11-9+,12-10+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4684 kcal/mol

Physical Properties
Molecular Weight: 228.344 g/mol	logS: 0.3409	SlogP: -0.75666	Reactive groups: 0

Topological Properties
Globularity: 0.129695	Sterimol/B1: 3.14937	Sterimol/B2: 3.26829	Sterimol/B3: 4.71959
Sterimol/B4: 4.82154	Sterimol/L: 16.0504

Surface and Volume Properties
Accessible surface: 501.748	Positive charged surface: 456.817	Negative charged surface: 44.9309	Volume: 251.75
Hydrophobic surface: 356.158	Hydrophilic surface: 145.59

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

MMs02341926
NCID-ZINC01716276