MMsINC Database Search


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MMsINC code: MMs02277953

Type: Neutral
Formula: C₂₆H₃₇NO₅

SMILES:

O(C)c1c(-c2ccc(OC(C)C)cc2C(=O)N(CC)CC)c(cc(OC(C)C)c1OC)C

InChI:

InChI=1/C26H37NO5/c1-10-27(11-2)26(28)21-15-19(31-16(3)4)12-13-20(21)23-18(7)14-22(32-17(5)6)24(29-8)25(23)30-9/h12-17H,10-11H2,1-9H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.788 kcal/mol

Physical Properties
Molecular Weight: 443.584 g/mol	logS: -6.4901	SlogP: 5.73562	Reactive groups: 0

Topological Properties
Globularity: 0.142732	Sterimol/B1: 2.27037	Sterimol/B2: 3.34109	Sterimol/B3: 6.31023
Sterimol/B4: 9.02576	Sterimol/L: 18.1387

Surface and Volume Properties
Accessible surface: 738.915	Positive charged surface: 552.056	Negative charged surface: 186.583	Volume: 463.25
Hydrophobic surface: 589.253	Hydrophilic surface: 149.662

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.