MMsINC Database Search


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MMsINC code: MMs02713261

Type: Neutral
Formula: C₁₅H₂₃NO

SMILES:

O=C(NC(C(C)C)C(C)C)Cc1ccccc1

InChI:

InChI=1/C15H23NO/c1-11(2)15(12(3)4)16-14(17)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8702 kcal/mol

Physical Properties
Molecular Weight: 233.355 g/mol	logS: -3.05398	SlogP: 3.02587	Reactive groups: 0

Topological Properties
Globularity: 0.0999764	Sterimol/B1: 2.54631	Sterimol/B2: 3.78099	Sterimol/B3: 4.44387
Sterimol/B4: 5.2456	Sterimol/L: 14.4681

Surface and Volume Properties
Accessible surface: 488.577	Positive charged surface: 320.312	Negative charged surface: 168.264	Volume: 262.625
Hydrophobic surface: 393.225	Hydrophilic surface: 95.352

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.