MMsINC Database Search


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MMsINC code: MMs03468467

Type: Neutral
Formula: C₁₄H₂₈N-

SMILES:

[N-]1CCC(CC1)C(CCCC)CCCC

InChI:

InChI=1/C14H28N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h13-14H,3-12H2,1-2H3/q-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.3169 kcal/mol

Physical Properties
Molecular Weight: 210.385 g/mol	logS: -4.773	SlogP: 4.7667	Reactive groups: 0

Topological Properties
Globularity: 0.0953772	Sterimol/B1: 3.01245	Sterimol/B2: 3.36441	Sterimol/B3: 5.06907
Sterimol/B4: 7.11027	Sterimol/L: 12.9421

Surface and Volume Properties
Accessible surface: 493.795	Positive charged surface: 376.748	Negative charged surface: 117.047	Volume: 255.625
Hydrophobic surface: 426.337	Hydrophilic surface: 67.458

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 1	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: no related molecules available.