MMsINC Database Search


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MMsINC code: MMs02265247

Type: Neutral
Formula: C₂₉H₁₈O₂

SMILES:

OC(=O)c1ccccc1-c1c2c3c(ccc2cc2c1ccc1c2cccc1)cccc3

InChI:

InChI=1/C29H18O2/c30-29(31)25-12-6-5-11-23(25)28-24-16-15-18-7-1-3-9-21(18)26(24)17-20-14-13-19-8-2-4-10-22(19)27(20)28/h1-17H,(H,30,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=200.986 kcal/mol

Physical Properties
Molecular Weight: 398.461 g/mol	logS: -11.2922	SlogP: 7.6646	Reactive groups: 0

Topological Properties
Globularity: 0.108361	Sterimol/B1: 4.06917	Sterimol/B2: 5.49219	Sterimol/B3: 5.67177
Sterimol/B4: 6.43047	Sterimol/L: 16.1808

Surface and Volume Properties
Accessible surface: 612.014	Positive charged surface: 315.347	Negative charged surface: 261.902	Volume: 383.875
Hydrophobic surface: 541.069	Hydrophilic surface: 70.945

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02265248
NCID-ZINC01615632