MMsINC Database Search


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MMsINC code: MMs01725261

Type: Neutral
Formula: C₂₄H₂₉NO₄

SMILES:

O(CC)c1cc(ccc1OCC)Cc1nccc2c1cc(OCC)c(OCC)c2

InChI:

InChI=1/C24H29NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-12,14-16H,5-8,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.991 kcal/mol

Physical Properties
Molecular Weight: 395.499 g/mol	logS: -5.47083	SlogP: 5.42037	Reactive groups: 0

Topological Properties
Globularity: 0.150009	Sterimol/B1: 2.44168	Sterimol/B2: 5.85054	Sterimol/B3: 6.48963
Sterimol/B4: 7.09121	Sterimol/L: 18.151

Surface and Volume Properties
Accessible surface: 702.805	Positive charged surface: 507.561	Negative charged surface: 185.238	Volume: 402
Hydrophobic surface: 584.194	Hydrophilic surface: 118.611

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.