MMsINC Database Search


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MMsINC code: MMs02392796

Type: Neutral
Formula: C₂₆H₁₈O₂

SMILES:

Oc1ccc(cc1)C1(c2c(cccc2)C(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C26H18O2/c27-20-16-14-19(15-17-20)26(18-8-2-1-3-9-18)23-12-6-4-10-21(23)25(28)22-11-5-7-13-24(22)26/h1-17,27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.378 kcal/mol

Physical Properties
Molecular Weight: 362.428 g/mol	logS: -6.85154	SlogP: 5.3193	Reactive groups: 0

Topological Properties
Globularity: 0.779963	Sterimol/B1: 2.56294	Sterimol/B2: 5.80409	Sterimol/B3: 6.46964
Sterimol/B4: 9.18979	Sterimol/L: 12.7394

Surface and Volume Properties
Accessible surface: 574.052	Positive charged surface: 316.369	Negative charged surface: 257.683	Volume: 353.5
Hydrophobic surface: 487.885	Hydrophilic surface: 86.167

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02392797
NCID-ZINC04683139