MMsINC Database Search


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MMsINC code: MMs00295677

Type: Neutral
Formula: C₂₂H₂₄N₂O₄

SMILES:

O1CCN(CC1)C(=O)CCCCCN1C(=O)c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C22H24N2O4/c25-19(23-12-14-28-15-13-23)10-2-1-3-11-24-21(26)17-8-4-6-16-7-5-9-18(20(16)17)22(24)27/h4-9H,1-3,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3872 kcal/mol

Physical Properties
Molecular Weight: 380.444 g/mol	logS: -4.6579	SlogP: 2.855	Reactive groups: 0

Topological Properties
Globularity: 0.0439348	Sterimol/B1: 2.53751	Sterimol/B2: 3.40478	Sterimol/B3: 4.2946
Sterimol/B4: 7.242	Sterimol/L: 19.9753

Surface and Volume Properties
Accessible surface: 655.646	Positive charged surface: 452.724	Negative charged surface: 191.85	Volume: 363.375
Hydrophobic surface: 550.763	Hydrophilic surface: 104.883

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.