MMsINC Database Search


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MMsINC code: MMs01312285

Type: Neutral
Formula: C₁₇H₁₉NO₇

SMILES:

o1cccc1CNC(=O)COC(=O)c1cc(OC)c(OC)cc1OC

InChI:

InChI=1/C17H19NO7/c1-21-13-8-15(23-3)14(22-2)7-12(13)17(20)25-10-16(19)18-9-11-5-4-6-24-11/h4-8H,9-10H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2557 kcal/mol

Physical Properties
Molecular Weight: 349.339 g/mol	logS: -3.60979	SlogP: 2.045	Reactive groups: 0

Topological Properties
Globularity: 0.0172142	Sterimol/B1: 2.53984	Sterimol/B2: 2.99388	Sterimol/B3: 3.49711
Sterimol/B4: 9.59987	Sterimol/L: 20.0417

Surface and Volume Properties
Accessible surface: 643.85	Positive charged surface: 469.608	Negative charged surface: 174.242	Volume: 319.375
Hydrophobic surface: 518.149	Hydrophilic surface: 125.701

Pharmacophoric Properties
Hydrogen bond donors: 1	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.