MMsINC Database Search


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MMsINC code: MMs00627774

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(Nc1cc(C)c(cc1)C)c1ccccc1NC(=O)C(C)(C)C

InChI:

InChI=1/C20H24N2O2/c1-13-10-11-15(12-14(13)2)21-18(23)16-8-6-7-9-17(16)22-19(24)20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.283 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -5.11747	SlogP: 4.54034	Reactive groups: 0

Topological Properties
Globularity: 0.059029	Sterimol/B1: 3.38451	Sterimol/B2: 3.79627	Sterimol/B3: 3.97848
Sterimol/B4: 8.12424	Sterimol/L: 15.772

Surface and Volume Properties
Accessible surface: 606.218	Positive charged surface: 373.271	Negative charged surface: 232.947	Volume: 334.375
Hydrophobic surface: 511.532	Hydrophilic surface: 94.686

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.