MMsINC Database Search


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MMsINC code: MMs01543707

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1ccc(N2CCN(CC2)C(=O)COC(=O)c2ccc3c(cccc3)c2O)cc1

InChI:

InChI=1/C24H24N2O5/c1-30-19-9-7-18(8-10-19)25-12-14-26(15-13-25)22(27)16-31-24(29)21-11-6-17-4-2-3-5-20(17)23(21)28/h2-11,28H,12-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=189.139 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.27009	SlogP: 3.0596	Reactive groups: 0

Topological Properties
Globularity: 0.0400303	Sterimol/B1: 2.24341	Sterimol/B2: 3.89491	Sterimol/B3: 4.5343
Sterimol/B4: 6.58004	Sterimol/L: 23.7043

Surface and Volume Properties
Accessible surface: 712.209	Positive charged surface: 473.819	Negative charged surface: 227.481	Volume: 397.875
Hydrophobic surface: 588.024	Hydrophilic surface: 124.185

Pharmacophoric Properties
Hydrogen bond donors: 1	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.