MMsINC Database Search


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MMsINC code: MMs00844513

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1cc(ccc1CCCC(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C19H23NO2/c1-14-8-11-17(12-9-14)20-19(21)6-4-5-16-10-7-15(2)13-18(16)22-3/h7-13H,4-6H2,1-3H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6089 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.49825	SlogP: 4.27341	Reactive groups: 0

Topological Properties
Globularity: 0.0758578	Sterimol/B1: 2.88836	Sterimol/B2: 2.89911	Sterimol/B3: 5.35655
Sterimol/B4: 5.88236	Sterimol/L: 18.5357

Surface and Volume Properties
Accessible surface: 605.812	Positive charged surface: 414.439	Negative charged surface: 191.373	Volume: 315.75
Hydrophobic surface: 561.074	Hydrophilic surface: 44.738

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.