MMsINC Database Search


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MMsINC code: MMs02349214

Type: Neutral
Formula: C₁₄H₁₉N

SMILES:

N(C)(C)c1ccccc1C=1CCCCC=1

InChI:

InChI=1/C14H19N/c1-15(2)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h6-8,10-11H,3-5,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1541 kcal/mol

Physical Properties
Molecular Weight: 201.313 g/mol	logS: -3.37128	SlogP: 3.71	Reactive groups: 0

Topological Properties
Globularity: 0.209314	Sterimol/B1: 2.52114	Sterimol/B2: 2.57628	Sterimol/B3: 4.67271
Sterimol/B4: 7.36694	Sterimol/L: 11.7022

Surface and Volume Properties
Accessible surface: 434.145	Positive charged surface: 335.515	Negative charged surface: 98.63	Volume: 230.125
Hydrophobic surface: 428.155	Hydrophilic surface: 5.99

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	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.