MMsINC Database Search


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MMsINC code: MMs01784704

Type: Neutral
Formula: C₂₀H₂₅NO₆

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C20H25NO6/c1-23-15-7-6-13(10-16(15)24-2)8-9-21-20(22)14-11-17(25-3)19(27-5)18(12-14)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.841 kcal/mol

Physical Properties
Molecular Weight: 375.421 g/mol	logS: -3.61228	SlogP: 2.70207	Reactive groups: 0

Topological Properties
Globularity: 0.079051	Sterimol/B1: 2.56063	Sterimol/B2: 4.69449	Sterimol/B3: 6.75887
Sterimol/B4: 7.02927	Sterimol/L: 20.4321

Surface and Volume Properties
Accessible surface: 699.665	Positive charged surface: 570.345	Negative charged surface: 129.32	Volume: 363.25
Hydrophobic surface: 615.386	Hydrophilic surface: 84.279

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.