MMsINC Database Search


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MMsINC code: MMs01179805

Type: Neutral
Formula: C₂₅H₂₃NO₅

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1cc2OCOc2cc1)CCc1ccccc1

InChI:

InChI=1/C25H23NO5/c27-25(14-19-6-8-21-23(12-19)30-16-28-21)26(11-10-18-4-2-1-3-5-18)15-20-7-9-22-24(13-20)31-17-29-22/h1-9,12-13H,10-11,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.803 kcal/mol

Physical Properties
Molecular Weight: 417.461 g/mol	logS: -4.99396	SlogP: 4.22434	Reactive groups: 0

Topological Properties
Globularity: 0.106688	Sterimol/B1: 2.74499	Sterimol/B2: 2.96417	Sterimol/B3: 5.03183
Sterimol/B4: 11.6435	Sterimol/L: 17.3732

Surface and Volume Properties
Accessible surface: 692.631	Positive charged surface: 441.554	Negative charged surface: 251.077	Volume: 398.625
Hydrophobic surface: 554.158	Hydrophilic surface: 138.473

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.