MMsINC Database Search


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MMsINC code: MMs01353109

Type: Neutral
Formula: C₂₆H₂₉NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)CCC(=O)N(C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C26H29NO4/c1-27(25(20-11-7-5-8-12-20)21-13-9-6-10-14-21)24(28)16-15-19-17-22(29-2)26(31-4)23(18-19)30-3/h5-14,17-18,25H,15-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.321 kcal/mol

Physical Properties
Molecular Weight: 419.521 g/mol	logS: -5.05535	SlogP: 4.98847	Reactive groups: 0

Topological Properties
Globularity: 0.102579	Sterimol/B1: 3.64539	Sterimol/B2: 4.52324	Sterimol/B3: 5.87398
Sterimol/B4: 7.40625	Sterimol/L: 18.6145

Surface and Volume Properties
Accessible surface: 742.978	Positive charged surface: 545.337	Negative charged surface: 197.641	Volume: 422.125
Hydrophobic surface: 702.152	Hydrophilic surface: 40.826

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.