MMsINC Database Search


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MMsINC code: MMs01580661

Type: Neutral
Formula: C₂₃H₂₆N₂O₅

SMILES:

O(C(=O)c1c2CCCCc2nc2c1cccc2)CC(=O)N1CCC(CC1)C(OC)=O

InChI:

InChI=1/C23H26N2O5/c1-29-22(27)15-10-12-25(13-11-15)20(26)14-30-23(28)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2,4,6,8,15H,3,5,7,9-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7001 kcal/mol

Physical Properties
Molecular Weight: 410.47 g/mol	logS: -4.22757	SlogP: 2.68194	Reactive groups: 0

Topological Properties
Globularity: 0.0475247	Sterimol/B1: 2.81141	Sterimol/B2: 5.11622	Sterimol/B3: 5.8535
Sterimol/B4: 6.42586	Sterimol/L: 19.4047

Surface and Volume Properties
Accessible surface: 700.562	Positive charged surface: 494.678	Negative charged surface: 200.752	Volume: 390.125
Hydrophobic surface: 586.746	Hydrophilic surface: 113.816

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.