MMsINC Database Search


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MMsINC code: MMs01480715

Type: Neutral
Formula: C₂₄H₂₉NO₅

SMILES:

O1CCN(CC1)C(=O)COC(=O)c1ccc(cc1)COc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H29NO5/c1-24(2,3)20-8-10-21(11-9-20)29-16-18-4-6-19(7-5-18)23(27)30-17-22(26)25-12-14-28-15-13-25/h4-11H,12-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.337 kcal/mol

Physical Properties
Molecular Weight: 411.498 g/mol	logS: -5.96253	SlogP: 3.8451	Reactive groups: 0

Topological Properties
Globularity: 0.0255506	Sterimol/B1: 2.29533	Sterimol/B2: 3.51009	Sterimol/B3: 3.72393
Sterimol/B4: 6.78211	Sterimol/L: 23.663

Surface and Volume Properties
Accessible surface: 748.565	Positive charged surface: 507.635	Negative charged surface: 240.93	Volume: 407.75
Hydrophobic surface: 599.009	Hydrophilic surface: 149.556

Pharmacophoric Properties
Hydrogen bond donors: 0	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.