MMsINC Database Search


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MMsINC code: MMs02860303

Type: Neutral
Formula: C₂₀H₂₃NO₂

SMILES:

O1CN(CCC1(C)c1ccccc1)CCC(=O)c1ccccc1

InChI:

InChI=1/C20H23NO2/c1-20(18-10-6-3-7-11-18)13-15-21(16-23-20)14-12-19(22)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3449 kcal/mol

Physical Properties
Molecular Weight: 309.409 g/mol	logS: -3.76346	SlogP: 4.1661	Reactive groups: 0

Topological Properties
Globularity: 0.0425111	Sterimol/B1: 2.30196	Sterimol/B2: 2.93446	Sterimol/B3: 4.87356
Sterimol/B4: 5.96316	Sterimol/L: 18.5308

Surface and Volume Properties
Accessible surface: 582.64	Positive charged surface: 364.807	Negative charged surface: 217.833	Volume: 320.625
Hydrophobic surface: 517.916	Hydrophilic surface: 64.724

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.