MMsINC Database Search


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MMsINC code: MMs02672340

Type: Neutral
Formula: C₁₆H₂₆N₂O

SMILES:

O=C(Nc1ccc(cc1)C(C)C)N(C(C)C)C(C)C

InChI:

InChI=1/C16H26N2O/c1-11(2)14-7-9-15(10-8-14)17-16(19)18(12(3)4)13(5)6/h7-13H,1-6H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.519 kcal/mol

Physical Properties
Molecular Weight: 262.397 g/mol	logS: -4.1354	SlogP: 4.4607	Reactive groups: 0

Topological Properties
Globularity: 0.0826027	Sterimol/B1: 2.38604	Sterimol/B2: 3.42696	Sterimol/B3: 4.84767
Sterimol/B4: 4.98446	Sterimol/L: 14.8447

Surface and Volume Properties
Accessible surface: 530.176	Positive charged surface: 344.937	Negative charged surface: 185.239	Volume: 289.75
Hydrophobic surface: 395.267	Hydrophilic surface: 134.909

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