MMsINC Database Search


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MMsINC code: MMs01303273

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

o1c2c(cc1C(=O)N1CC3(CC(CC1C3)(C)C)C)cccc2

InChI:

InChI=1/C19H23NO2/c1-18(2)9-14-10-19(3,11-18)12-20(14)17(21)16-8-13-6-4-5-7-15(13)22-16/h4-8,14H,9-12H2,1-3H3/t14-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8191 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -5.43657	SlogP: 4.4736	Reactive groups: 0

Topological Properties
Globularity: 0.152339	Sterimol/B1: 2.64364	Sterimol/B2: 2.88315	Sterimol/B3: 5.64351
Sterimol/B4: 6.0267	Sterimol/L: 15.0413

Surface and Volume Properties
Accessible surface: 531.521	Positive charged surface: 346.565	Negative charged surface: 179.024	Volume: 303.75
Hydrophobic surface: 449.863	Hydrophilic surface: 81.658

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.