MMsINC Database Search


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MMsINC code: MMs00054745

Type: Neutral
Formula: C₁₁H₂₅N₃

SMILES:

N1CCN(CC1)CCCN(CC)CC

InChI:

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


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9637 kcal/mol

Physical Properties
Molecular Weight: 199.342 g/mol	logS: -0.15829	SlogP: 0.6235	Reactive groups: 0

Topological Properties
Globularity: 0.107634	Sterimol/B1: 2.11319	Sterimol/B2: 2.90715	Sterimol/B3: 4.65232
Sterimol/B4: 6.45702	Sterimol/L: 13.3324

Surface and Volume Properties
Accessible surface: 468.13	Positive charged surface: 410.736	Negative charged surface: 57.3937	Volume: 230.5
Hydrophobic surface: 389.315	Hydrophilic surface: 78.815

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

MMs00054747
APOLLO-ZINC02572553