MMsINC Database Search


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MMsINC code: MMs02011173

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

O=C(C(=O)N(C(C)C)C(C)C)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C18H24N2O2/c1-11(2)20(12(3)4)18(22)17(21)16-13(5)19(6)15-10-8-7-9-14(15)16/h7-12H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.594 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -3.56251	SlogP: 3.67402	Reactive groups: 0

Topological Properties
Globularity: 0.107028	Sterimol/B1: 1.969	Sterimol/B2: 3.63513	Sterimol/B3: 4.46133
Sterimol/B4: 8.48744	Sterimol/L: 13.7529

Surface and Volume Properties
Accessible surface: 516.876	Positive charged surface: 319.619	Negative charged surface: 194.286	Volume: 310.875
Hydrophobic surface: 401.436	Hydrophilic surface: 115.44

Pharmacophoric Properties
Hydrogen bond donors: 0	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.