MMsINC Database Search


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MMsINC code: MMs02386912

Type: Neutral
Formula: C₁₅H₃₅N₃

SMILES:

N(CCNCCCNC(CCCC)C)(CC)CC

InChI:

InChI=1/C15H35N3/c1-5-8-10-15(4)17-12-9-11-16-13-14-18(6-2)7-3/h15-17H,5-14H2,1-4H3/t15-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.8898 kcal/mol

Physical Properties
Molecular Weight: 257.466 g/mol	logS: -1.76513	SlogP: 2.4762	Reactive groups: 0

Topological Properties
Globularity: 0.0270506	Sterimol/B1: 2.01622	Sterimol/B2: 2.98306	Sterimol/B3: 3.66225
Sterimol/B4: 7.78115	Sterimol/L: 18.3796

Surface and Volume Properties
Accessible surface: 633.735	Positive charged surface: 518.875	Negative charged surface: 114.86	Volume: 314.625
Hydrophobic surface: 516.926	Hydrophilic surface: 116.809

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02386914
NCID-ZINC04428598