MMsINC Database Search


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MMsINC code: MMs03031359

Type: Ionized
Formula: C₁₄H₃₀N+

SMILES:

[NH2+](C(CC1CCCCC1)(C)C)CCCC

InChI:

InChI=1/C14H29N/c1-4-5-11-15-14(2,3)12-13-9-7-6-8-10-13/h13,15H,4-12H2,1-3H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.3684 kcal/mol

Physical Properties
Molecular Weight: 212.401 g/mol	logS: -4.03475	SlogP: 3.0989	Reactive groups: 0

Topological Properties
Globularity: 0.0983027	Sterimol/B1: 2.58318	Sterimol/B2: 3.42221	Sterimol/B3: 3.57203
Sterimol/B4: 7.29249	Sterimol/L: 14.6507

Surface and Volume Properties
Accessible surface: 498.479	Positive charged surface: 408.495	Negative charged surface: 89.9846	Volume: 264
Hydrophobic surface: 439.124	Hydrophilic surface: 59.355

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

search links for this molecule:

Parent related molecule:

MMs03031358
PUBCHEM-ZINC03641518