MMsINC Database Search


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MMsINC code: MMs03305437

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

N(C(CCCC)(C)c1ccccc1)(C)C

InChI:

InChI=1/C14H23N/c1-5-6-12-14(2,15(3)4)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.956 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -3.14296	SlogP: 3.9651	Reactive groups: 0

Topological Properties
Globularity: 0.348307	Sterimol/B1: 2.53168	Sterimol/B2: 3.68696	Sterimol/B3: 4.53872
Sterimol/B4: 7.2521	Sterimol/L: 11.193

Surface and Volume Properties
Accessible surface: 436.967	Positive charged surface: 326.918	Negative charged surface: 110.049	Volume: 238.625
Hydrophobic surface: 397.917	Hydrophilic surface: 39.05

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs03305438
PUBCHEM-ZINC05554049