MMsINC Database Search


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MMsINC code: MMs02295843

Type: Neutral
Formula: C₁₁H₂₅N₃

SMILES:

N(CCCN1CCCC1)(CCNC)C

InChI:

InChI=1/C11H25N3/c1-12-6-11-13(2)7-5-10-14-8-3-4-9-14/h12H,3-11H2,1-2H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.097 kcal/mol

Physical Properties
Molecular Weight: 199.342 g/mol	logS: 0.09259	SlogP: 0.6235	Reactive groups: 0

Topological Properties
Globularity: 0.0362724	Sterimol/B1: 2.56404	Sterimol/B2: 3.46698	Sterimol/B3: 3.48608
Sterimol/B4: 3.58691	Sterimol/L: 16.7774

Surface and Volume Properties
Accessible surface: 484.801	Positive charged surface: 448.992	Negative charged surface: 35.8083	Volume: 234.875
Hydrophobic surface: 452.669	Hydrophilic surface: 32.132

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules

MMs02295844
NCID-ZINC01657776