MMsINC Database Search


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MMsINC code: MMs02356031

Type: Neutral
Formula: C₁₆H₂₆N₂O

SMILES:

O(C)c1ccc(cc1)C(N(CCCC)CCCC)=N

InChI:

InChI=1/C16H26N2O/c1-4-6-12-18(13-7-5-2)16(17)14-8-10-15(19-3)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3/b17-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7232 kcal/mol

Physical Properties
Molecular Weight: 262.397 g/mol	logS: -3.76456	SlogP: 3.92277	Reactive groups: 0

Topological Properties
Globularity: 0.103701	Sterimol/B1: 2.91306	Sterimol/B2: 3.07139	Sterimol/B3: 4.92486
Sterimol/B4: 7.54642	Sterimol/L: 16.6372

Surface and Volume Properties
Accessible surface: 553.768	Positive charged surface: 418.7	Negative charged surface: 135.068	Volume: 293.5
Hydrophobic surface: 453.895	Hydrophilic surface: 99.873

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.