MMsINC Database Search


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MMsINC code: MMs02093267

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O(C(=O)C1CCN(CC1)c1ccc(N)cc1)CC

InChI:

InChI=1/C14H20N2O2/c1-2-18-14(17)11-7-9-16(10-8-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1683 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.07741	SlogP: 2.0483	Reactive groups: 0

Topological Properties
Globularity: 0.03061	Sterimol/B1: 2.56555	Sterimol/B2: 2.80677	Sterimol/B3: 3.61658
Sterimol/B4: 5.10174	Sterimol/L: 17.3232

Surface and Volume Properties
Accessible surface: 501.149	Positive charged surface: 368.846	Negative charged surface: 132.304	Volume: 252.5
Hydrophobic surface: 371.268	Hydrophilic surface: 129.881

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.