MMsINC Database Search


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MMsINC code: MMs03447314

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

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

InChI:

InChI=1/C15H24N2O/c1-4-5-6-7-8-15(18)16-13-9-11-14(12-10-13)17(2)3/h9-12H,4-8H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5707 kcal/mol

Physical Properties
Molecular Weight: 248.37 g/mol	logS: -3.78439	SlogP: 3.6615	Reactive groups: 0

Topological Properties
Globularity: 0.019938	Sterimol/B1: 2.73202	Sterimol/B2: 2.97902	Sterimol/B3: 3.38856
Sterimol/B4: 5.32603	Sterimol/L: 19.3594

Surface and Volume Properties
Accessible surface: 548.109	Positive charged surface: 434.325	Negative charged surface: 113.784	Volume: 275.375
Hydrophobic surface: 481.826	Hydrophilic surface: 66.283

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.