MMsINC Database Search


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MMsINC code: MMs03360708

Type: Neutral
Formula: C₁₈H₂₁NO₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)C(C)(C)C)cc1

InChI:

InChI=1/C18H21NO2/c1-18(2,3)17(20)19-15-9-11-16(12-10-15)21-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.806 kcal/mol

Physical Properties
Molecular Weight: 283.371 g/mol	logS: -4.01792	SlogP: 4.5166	Reactive groups: 0

Topological Properties
Globularity: 0.0473395	Sterimol/B1: 2.11939	Sterimol/B2: 3.42799	Sterimol/B3: 3.78815
Sterimol/B4: 5.18281	Sterimol/L: 18.5234

Surface and Volume Properties
Accessible surface: 566.419	Positive charged surface: 347.298	Negative charged surface: 219.121	Volume: 296.375
Hydrophobic surface: 478.373	Hydrophilic surface: 88.046

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.