MMsINC Database Search


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MMsINC code: MMs02259371

Type: Neutral
Formula: C₁₄H₂₉N₃

SMILES:

N12CC(CC1CCCC2)C(NCCN(C)C)C

InChI:

InChI=1/C14H29N3/c1-12(15-7-9-16(2)3)13-10-14-6-4-5-8-17(14)11-13/h12-15H,4-11H2,1-3H3/t12-,13-,14-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.4419 kcal/mol

Physical Properties
Molecular Weight: 239.407 g/mol	logS: -0.66156	SlogP: 1.4005	Reactive groups: 0

Topological Properties
Globularity: 0.056079	Sterimol/B1: 2.12821	Sterimol/B2: 3.02167	Sterimol/B3: 4.84549
Sterimol/B4: 4.9026	Sterimol/L: 16.6305

Surface and Volume Properties
Accessible surface: 513.328	Positive charged surface: 458.219	Negative charged surface: 55.1082	Volume: 272.375
Hydrophobic surface: 478.798	Hydrophilic surface: 34.53

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs02259372
NCID-ZINC01607671