MMsINC Database Search


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MMsINC code: MMs01394636

Type: Neutral
Formula: C₁₉H₂₀N₂O₇

SMILES:

O1CCOc2c1cc(cc2)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H20N2O7/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-20-18(22)11-4-5-13-14(8-11)28-7-6-27-13/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.361 kcal/mol

Physical Properties
Molecular Weight: 388.376 g/mol	logS: -3.98414	SlogP: 1.5584	Reactive groups: 0

Topological Properties
Globularity: 0.0106727	Sterimol/B1: 2.10465	Sterimol/B2: 2.61982	Sterimol/B3: 3.18148
Sterimol/B4: 9.32789	Sterimol/L: 20.6474

Surface and Volume Properties
Accessible surface: 661.394	Positive charged surface: 495.872	Negative charged surface: 165.522	Volume: 344.875
Hydrophobic surface: 528.986	Hydrophilic surface: 132.408

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 7	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.