MMsINC Database Search


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MMsINC code: MMs02405637

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

Oc1cc(O)ccc1C(c1ccc(O)cc1O)c1ccccc1

InChI:

InChI=1/C19H16O4/c20-13-6-8-15(17(22)10-13)19(12-4-2-1-3-5-12)16-9-7-14(21)11-18(16)23/h1-11,19-23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2643 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -3.38247	SlogP: 3.6892	Reactive groups: 0

Topological Properties
Globularity: 0.301132	Sterimol/B1: 2.53278	Sterimol/B2: 4.03926	Sterimol/B3: 4.38652
Sterimol/B4: 8.66524	Sterimol/L: 13.0887

Surface and Volume Properties
Accessible surface: 525.46	Positive charged surface: 311.494	Negative charged surface: 213.966	Volume: 289.5
Hydrophobic surface: 349.047	Hydrophilic surface: 176.413

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.