MMsINC Database Search


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MMsINC code: MMs02305608

Type: Neutral
Formula: C₁₆H₁₉N

SMILES:

Nc1ccc(cc1)C(C)(C)c1ccc(cc1)C

InChI:

InChI=1/C16H19N/c1-12-4-6-13(7-5-12)16(2,3)14-8-10-15(17)11-9-14/h4-11H,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6313 kcal/mol

Physical Properties
Molecular Weight: 225.335 g/mol	logS: -4.7265	SlogP: 3.90312	Reactive groups: 0

Topological Properties
Globularity: 0.175893	Sterimol/B1: 2.476	Sterimol/B2: 3.3356	Sterimol/B3: 3.9067
Sterimol/B4: 6.11804	Sterimol/L: 13.6415

Surface and Volume Properties
Accessible surface: 467.2	Positive charged surface: 300.111	Negative charged surface: 167.089	Volume: 249.875
Hydrophobic surface: 374.464	Hydrophilic surface: 92.736

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.