MMsINC Database Search


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MMsINC code: MMs00312445

Type: Neutral
Formula: C₂₄H₃₀N₂O₅

SMILES:

O(C)c1ccc(cc1N(C(=O)c1cc(OC)c(OC)cc1)CC(=O)NC1CCCC1)C

InChI:

InChI=1/C24H30N2O5/c1-16-9-11-20(29-2)19(13-16)26(15-23(27)25-18-7-5-6-8-18)24(28)17-10-12-21(30-3)22(14-17)31-4/h9-14,18H,5-8,15H2,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.058 kcal/mol

Physical Properties
Molecular Weight: 426.513 g/mol	logS: -5.00243	SlogP: 3.72642	Reactive groups: 0

Topological Properties
Globularity: 0.118778	Sterimol/B1: 2.31346	Sterimol/B2: 3.29423	Sterimol/B3: 5.73405
Sterimol/B4: 11.7314	Sterimol/L: 18.5945

Surface and Volume Properties
Accessible surface: 720.977	Positive charged surface: 569.891	Negative charged surface: 151.086	Volume: 418
Hydrophobic surface: 650.533	Hydrophilic surface: 70.444

Pharmacophoric Properties
Hydrogen bond donors: 1	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.