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MMsINC code: MMs01067531

Type: Neutral
Formula: C₁₆H₂₄N₂O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)CCC(=O)NCCNC(=O)C

InChI:

InChI=1/C16H24N2O5/c1-11(19)17-7-8-18-15(20)6-5-12-9-13(21-2)16(23-4)14(10-12)22-3/h9-10H,5-8H2,1-4H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1423 kcal/mol

Physical Properties
Molecular Weight: 324.377 g/mol	logS: -1.80547	SlogP: 0.89727	Reactive groups: 0

Topological Properties
Globularity: 0.0291331	Sterimol/B1: 3.5739	Sterimol/B2: 3.79706	Sterimol/B3: 5.92905
Sterimol/B4: 5.9295	Sterimol/L: 20.6286

Surface and Volume Properties
Accessible surface: 630.14	Positive charged surface: 506.292	Negative charged surface: 123.847	Volume: 315.75
Hydrophobic surface: 507.711	Hydrophilic surface: 122.429

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.