MMsINC Database Search


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MMsINC code: MMs01283458

Type: Neutral
Formula: C₂₀H₂₃NO₆

SMILES:

O1c2c(OCC1CNC(=O)Cc1cc(OC)c(OC)c(OC)c1)cccc2

InChI:

InChI=1/C20H23NO6/c1-23-17-8-13(9-18(24-2)20(17)25-3)10-19(22)21-11-14-12-26-15-6-4-5-7-16(15)27-14/h4-9,14H,10-12H2,1-3H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.884 kcal/mol

Physical Properties
Molecular Weight: 373.405 g/mol	logS: -3.78756	SlogP: 2.21107	Reactive groups: 0

Topological Properties
Globularity: 0.0400361	Sterimol/B1: 2.36535	Sterimol/B2: 3.03483	Sterimol/B3: 4.14701
Sterimol/B4: 9.24009	Sterimol/L: 20.37

Surface and Volume Properties
Accessible surface: 673.373	Positive charged surface: 530.621	Negative charged surface: 142.752	Volume: 352.875
Hydrophobic surface: 598.165	Hydrophilic surface: 75.208

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.