MMsINC Database Search


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MMsINC code: MMs00055017

Type: Neutral
Formula: C₁₆H₂₀N₂O₂

SMILES:

O(CCCCOc1ccc(N)cc1)c1ccc(N)cc1

InChI:

InChI=1/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2645 kcal/mol

Physical Properties
Molecular Weight: 272.348 g/mol	logS: -3.12528	SlogP: 3.089	Reactive groups: 0

Topological Properties
Globularity: 0.0056712	Sterimol/B1: 2.37442	Sterimol/B2: 2.37647	Sterimol/B3: 2.919
Sterimol/B4: 5.27233	Sterimol/L: 20.4365

Surface and Volume Properties
Accessible surface: 567.961	Positive charged surface: 386.811	Negative charged surface: 181.15	Volume: 283.375
Hydrophobic surface: 430.213	Hydrophilic surface: 137.748

Pharmacophoric Properties
Hydrogen bond donors: 2	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.