MMsINC Database Search


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MMsINC code: MMs00608092

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CC)c1ccccc1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H23NO2/c1-3-22-18-12-8-7-11-17(18)19(21)20-15(2)13-14-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0386 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.26695	SlogP: 3.83637	Reactive groups: 0

Topological Properties
Globularity: 0.0805776	Sterimol/B1: 2.28584	Sterimol/B2: 2.47568	Sterimol/B3: 5.80825
Sterimol/B4: 7.65239	Sterimol/L: 17.3889

Surface and Volume Properties
Accessible surface: 592.37	Positive charged surface: 377.707	Negative charged surface: 214.662	Volume: 314.75
Hydrophobic surface: 524.15	Hydrophilic surface: 68.22

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

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.