MMsINC Database Search


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MMsINC code: MMs02091949

Type: Neutral
Formula: C₁₉H₂₀O₆

SMILES:

O1c2c(ccc(OC)c2)C(=O)CC1c1cc(OC)c(OC)c(OC)c1

InChI:

InChI=1/C19H20O6/c1-21-12-5-6-13-14(20)10-15(25-16(13)9-12)11-7-17(22-2)19(24-4)18(8-11)23-3/h5-9,15H,10H2,1-4H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.54 kcal/mol

Physical Properties
Molecular Weight: 344.363 g/mol	logS: -3.74035	SlogP: 3.523	Reactive groups: 0

Topological Properties
Globularity: 0.094522	Sterimol/B1: 2.19869	Sterimol/B2: 4.92672	Sterimol/B3: 5.61578
Sterimol/B4: 6.09265	Sterimol/L: 17.0296

Surface and Volume Properties
Accessible surface: 608.437	Positive charged surface: 472.877	Negative charged surface: 135.56	Volume: 323.5
Hydrophobic surface: 533.805	Hydrophilic surface: 74.632

Pharmacophoric Properties
Hydrogen bond donors: 0	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.