MMsINC Database Search


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MMsINC code: MMs02400825

Type: Neutral
Formula: C₂₄H₃₂N₂O₆

SMILES:

O1CCN(CC1)CC(=O)N(Cc1cccc(OC)c1O)CCc1cccc(OC)c1OC

InChI:

InChI=1/C24H32N2O6/c1-29-20-8-5-7-19(23(20)28)16-26(22(27)17-25-12-14-32-15-13-25)11-10-18-6-4-9-21(30-2)24(18)31-3/h4-9,28H,10-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.023 kcal/mol

Physical Properties
Molecular Weight: 444.528 g/mol	logS: -3.23295	SlogP: 2.58787	Reactive groups: 0

Topological Properties
Globularity: 0.0966927	Sterimol/B1: 2.059	Sterimol/B2: 2.45707	Sterimol/B3: 6.11203
Sterimol/B4: 12.7972	Sterimol/L: 18.4643

Surface and Volume Properties
Accessible surface: 733.041	Positive charged surface: 589.022	Negative charged surface: 144.019	Volume: 433.75
Hydrophobic surface: 651.578	Hydrophilic surface: 81.463

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 7	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.