MMsINC Database Search


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MMsINC code: MMs01049889

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

o1cccc1-c1n(CC(=O)N2CCC(CC2)Cc2ccccc2)c(cc1)C(OC)=O

InChI:

InChI=1/C24H26N2O4/c1-29-24(28)21-10-9-20(22-8-5-15-30-22)26(21)17-23(27)25-13-11-19(12-14-25)16-18-6-3-2-4-7-18/h2-10,15,19H,11-14,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2734 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -5.0575	SlogP: 4.28237	Reactive groups: 0

Topological Properties
Globularity: 0.110769	Sterimol/B1: 1.969	Sterimol/B2: 3.7398	Sterimol/B3: 5.47538
Sterimol/B4: 11.5778	Sterimol/L: 17.1657

Surface and Volume Properties
Accessible surface: 679.397	Positive charged surface: 434.027	Negative charged surface: 245.37	Volume: 398
Hydrophobic surface: 623.259	Hydrophilic surface: 56.138

Pharmacophoric Properties
Hydrogen bond donors: 0	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.