MMsINC Database Search


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MMsINC code: MMs03288772

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

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

InChI:

InChI=1/C19H23NO2/c1-4-19(2,3)18(21)20-16-10-12-17(13-11-16)22-14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8904 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.53314	SlogP: 4.9067	Reactive groups: 0

Topological Properties
Globularity: 0.0420034	Sterimol/B1: 2.4249	Sterimol/B2: 3.46732	Sterimol/B3: 3.75932
Sterimol/B4: 4.6919	Sterimol/L: 19.5155

Surface and Volume Properties
Accessible surface: 586.294	Positive charged surface: 358.467	Negative charged surface: 227.827	Volume: 313.625
Hydrophobic surface: 498.535	Hydrophilic surface: 87.759

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.