MMsINC Database Search


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MMsINC code: MMs02808800

Type: Neutral
Formula: C₁₉H₁₈O₇

SMILES:

O1C(c2c(c(OC)c(OC)cc2)C1=O)CC(=O)c1cc(OC)c(O)cc1

InChI:

InChI=1/C19H18O7/c1-23-14-7-5-11-15(26-19(22)17(11)18(14)25-3)9-13(21)10-4-6-12(20)16(8-10)24-2/h4-8,15,20H,9H2,1-3H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.61 kcal/mol

Physical Properties
Molecular Weight: 358.346 g/mol	logS: -3.65937	SlogP: 2.998	Reactive groups: 0

Topological Properties
Globularity: 0.068714	Sterimol/B1: 2.34421	Sterimol/B2: 3.1897	Sterimol/B3: 4.41058
Sterimol/B4: 7.00411	Sterimol/L: 18.2407

Surface and Volume Properties
Accessible surface: 611.117	Positive charged surface: 437.774	Negative charged surface: 173.343	Volume: 323
Hydrophobic surface: 452.121	Hydrophilic surface: 158.996

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.