MMsINC Database Search


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MMsINC code: MMs02200021

Type: Neutral
Formula: C₂₀H₃₂N₂O₄

SMILES:

O(C(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1)C

InChI:

InChI=1/C20H32N2O4/c1-15(2)11-13-20(25,14-12-16(3)4)18(23)21-22(19(24)26-5)17-9-7-6-8-10-17/h6-10,15-16,25H,11-14H2,1-5H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6378 kcal/mol

Physical Properties
Molecular Weight: 364.486 g/mol	logS: -5.78903	SlogP: 3.8941	Reactive groups: 0

Topological Properties
Globularity: 0.18834	Sterimol/B1: 2.74294	Sterimol/B2: 3.28509	Sterimol/B3: 6.4105
Sterimol/B4: 9.40157	Sterimol/L: 15.2054

Surface and Volume Properties
Accessible surface: 664.13	Positive charged surface: 458.339	Negative charged surface: 205.79	Volume: 378.625
Hydrophobic surface: 510.781	Hydrophilic surface: 153.349

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.