MMsINC Database Search


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MMsINC code: MMs02505009

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O1C2C(c3cc(O)c(OC)cc13)COc1c2cccc1

InChI:

InChI=1/C16H14O4/c1-18-15-7-14-10(6-12(15)17)11-8-19-13-5-3-2-4-9(13)16(11)20-14/h2-7,11,16-17H,8H2,1H3/t11-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8398 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.14924	SlogP: 3.106	Reactive groups: 0

Topological Properties
Globularity: 0.05117	Sterimol/B1: 2.2069	Sterimol/B2: 2.39755	Sterimol/B3: 4.01184
Sterimol/B4: 6.3999	Sterimol/L: 14.7884

Surface and Volume Properties
Accessible surface: 484.664	Positive charged surface: 335.763	Negative charged surface: 148.901	Volume: 246.875
Hydrophobic surface: 408.753	Hydrophilic surface: 75.911

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.