MMsINC Database Search


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MMsINC code: MMs02265185

Type: Neutral
Formula: C₁₁H₂₀N₄

SMILES:

N(C(C#N)(C)C)CCCNC(C#N)(C)C

InChI:

InChI=1/C11H20N4/c1-10(2,8-12)14-6-5-7-15-11(3,4)9-13/h14-15H,5-7H2,1-4H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3452 kcal/mol

Physical Properties
Molecular Weight: 208.309 g/mol	logS: -1.38977	SlogP: 1.16007	Reactive groups: 0

Topological Properties
Globularity: 0.0956004	Sterimol/B1: 1.97832	Sterimol/B2: 3.22938	Sterimol/B3: 3.5243
Sterimol/B4: 4.77588	Sterimol/L: 15.4075

Surface and Volume Properties
Accessible surface: 477.545	Positive charged surface: 298.402	Negative charged surface: 179.143	Volume: 234
Hydrophobic surface: 240.673	Hydrophilic surface: 236.872

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02265187
NCID-ZINC01615561