MMsINC Database Search


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MMsINC code: MMs03457423

Type: Neutral
Formula: C₁₈H₃₀N₂O₂

SMILES:

O(C(CCCC)(CCCC)C(=O)NNc1ccccc1)CC

InChI:

InChI=1/C18H30N2O2/c1-4-7-14-18(22-6-3,15-8-5-2)17(21)20-19-16-12-10-9-11-13-16/h9-13,19H,4-8,14-15H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8342 kcal/mol

Physical Properties
Molecular Weight: 306.45 g/mol	logS: -4.87295	SlogP: 4.2854	Reactive groups: 0

Topological Properties
Globularity: 0.147413	Sterimol/B1: 4.12669	Sterimol/B2: 4.19886	Sterimol/B3: 4.54612
Sterimol/B4: 7.44045	Sterimol/L: 17.0692

Surface and Volume Properties
Accessible surface: 612.71	Positive charged surface: 417.5	Negative charged surface: 195.21	Volume: 333.875
Hydrophobic surface: 500.593	Hydrophilic surface: 112.117

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.