MMsINC Database Search


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MMsINC code: MMs02821689

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

Nc1cc(cc(c1)C(C)(C)C)C(C)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1489 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -5.14492	SlogP: 3.8638	Reactive groups: 0

Topological Properties
Globularity: 0.151998	Sterimol/B1: 2.1922	Sterimol/B2: 2.37504	Sterimol/B3: 4.87452
Sterimol/B4: 7.05509	Sterimol/L: 12.1908

Surface and Volume Properties
Accessible surface: 446.246	Positive charged surface: 310.151	Negative charged surface: 136.096	Volume: 243.5
Hydrophobic surface: 284.463	Hydrophilic surface: 161.783

Pharmacophoric Properties
Hydrogen bond donors: 1	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.