MMsINC Database Search


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MMsINC code: MMs02284573

Type: Neutral
Formula: C₃₀H₁₈O₄

SMILES:

O1c2c(cc(cc2)-c2cc3c(OC(=CC3=O)c3ccccc3)cc2)C(=O)C=C1c1ccccc
1

InChI:

InChI=1/C30H18O4/c31-25-17-29(19-7-3-1-4-8-19)33-27-13-11-21(15-23(25)27)22-12-14-28-24(16-22)26(32)18-30(34-28)20-9-5-2-6-10-20/h1-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.768 kcal/mol

Physical Properties
Molecular Weight: 442.47 g/mol	logS: -10.1385	SlogP: 6.586	Reactive groups: 1

Topological Properties
Globularity: 1.48242e-07	Sterimol/B1: 2.10041	Sterimol/B2: 2.10086	Sterimol/B3: 4.26825
Sterimol/B4: 5.36542	Sterimol/L: 24.7871

Surface and Volume Properties
Accessible surface: 728.713	Positive charged surface: 342.478	Negative charged surface: 375.164	Volume: 417
Hydrophobic surface: 642.45	Hydrophilic surface: 86.263

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.