MMsINC Database Search


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MMsINC code: MMs02235748

Type: Neutral
Formula: C₁₂H₂₉N₃

SMILES:

N(CCNCCN(CC)CC)(CC)CC

InChI:

InChI=1/C12H29N3/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4/h13H,5-12H2,1-4H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8092 kcal/mol

Physical Properties
Molecular Weight: 215.385 g/mol	logS: -0.4621	SlogP: 1.2596	Reactive groups: 0

Topological Properties
Globularity: 0.0960017	Sterimol/B1: 1.969	Sterimol/B2: 3.11715	Sterimol/B3: 5.11784
Sterimol/B4: 6.03956	Sterimol/L: 14.7193

Surface and Volume Properties
Accessible surface: 528.043	Positive charged surface: 432.878	Negative charged surface: 95.1647	Volume: 263.875
Hydrophobic surface: 419.141	Hydrophilic surface: 108.902

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

MMs02235750
NCID-ZINC01577524