MMsINC Database Search


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MMsINC code: MMs02338790

Type: Neutral
Formula: C₁₆H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)CNNCc1ccc(OC)cc1

InChI:

InChI=1/C16H20N2O2/c1-19-15-7-3-13(4-8-15)11-17-18-12-14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1588 kcal/mol

Physical Properties
Molecular Weight: 272.348 g/mol	logS: -2.50976	SlogP: 3.031	Reactive groups: 1

Topological Properties
Globularity: 0.0239518	Sterimol/B1: 2.34817	Sterimol/B2: 2.66544	Sterimol/B3: 3.60889
Sterimol/B4: 4.89625	Sterimol/L: 20.2926

Surface and Volume Properties
Accessible surface: 567.264	Positive charged surface: 412.636	Negative charged surface: 154.627	Volume: 284.875
Hydrophobic surface: 500.293	Hydrophilic surface: 66.971

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.