MMsINC Database Search


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MMsINC code: MMs01503905

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O=C(NC(CC)(C)C)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H23NO/c1-4-19(2,3)20-18(21)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,4H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8683 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -4.41834	SlogP: 4.1233	Reactive groups: 0

Topological Properties
Globularity: 0.181096	Sterimol/B1: 3.79536	Sterimol/B2: 3.9929	Sterimol/B3: 4.45896
Sterimol/B4: 6.59866	Sterimol/L: 14.0284

Surface and Volume Properties
Accessible surface: 545.904	Positive charged surface: 334.513	Negative charged surface: 211.39	Volume: 303.75
Hydrophobic surface: 475.753	Hydrophilic surface: 70.151

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.