MMsINC Database Search


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MMsINC code: MMs01628258

Type: Neutral
Formula: C₁₉H₂₃NO₆

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc(OC)c(OC)cc1C

InChI:

InChI=1/C19H23NO6/c1-11-7-15(23-3)17(25-5)9-13(11)20-19(21)12-8-16(24-4)18(26-6)10-14(12)22-2/h7-10H,1-6H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.216 kcal/mol

Physical Properties
Molecular Weight: 361.394 g/mol	logS: -3.76724	SlogP: 3.29032	Reactive groups: 0

Topological Properties
Globularity: 0.0296254	Sterimol/B1: 2.38889	Sterimol/B2: 3.57419	Sterimol/B3: 4.02493
Sterimol/B4: 8.60232	Sterimol/L: 18.6131

Surface and Volume Properties
Accessible surface: 633.818	Positive charged surface: 530.71	Negative charged surface: 103.108	Volume: 343.25
Hydrophobic surface: 574.748	Hydrophilic surface: 59.07

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.