MMsINC Database Search


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MMsINC code: MMs00602963

Type: Neutral
Formula: C₁₈H₂₈N₂O₂

SMILES:

O=C(N(C(C)C)C(C)C)c1ccc(cc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C18H28N2O2/c1-12(2)20(13(3)4)17(22)15-10-8-14(9-11-15)16(21)19-18(5,6)7/h8-13H,1-7H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=268.138 kcal/mol

Physical Properties
Molecular Weight: 304.434 g/mol	logS: -3.86162	SlogP: 3.4739	Reactive groups: 0

Topological Properties
Globularity: 0.0766148	Sterimol/B1: 2.09514	Sterimol/B2: 3.89582	Sterimol/B3: 5.17288
Sterimol/B4: 6.08411	Sterimol/L: 16.61

Surface and Volume Properties
Accessible surface: 566.227	Positive charged surface: 361.681	Negative charged surface: 204.546	Volume: 318.875
Hydrophobic surface: 390.402	Hydrophilic surface: 175.825

Pharmacophoric Properties
Hydrogen bond donors: 1	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.