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MMsINC code: MMs01579014

Type: Neutral
Formula: C₂₀H₂₃NO₃

SMILES:

O(C(=O)c1c(cc(cc1C)C)C)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C20H23NO3/c1-14-11-15(2)19(16(3)12-14)20(23)24-13-18(22)21-10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7836 kcal/mol

Physical Properties
Molecular Weight: 325.408 g/mol	logS: -5.19031	SlogP: 3.12753	Reactive groups: 0

Topological Properties
Globularity: 0.0530842	Sterimol/B1: 2.55225	Sterimol/B2: 4.75662	Sterimol/B3: 4.75878
Sterimol/B4: 5.92746	Sterimol/L: 20.0526

Surface and Volume Properties
Accessible surface: 643.812	Positive charged surface: 388.581	Negative charged surface: 255.231	Volume: 333.375
Hydrophobic surface: 563.674	Hydrophilic surface: 80.138

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.