MMsINC Database Search


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MMsINC code: MMs02571235

Type: Neutral
Formula: C₂₃H₁₆O₄

SMILES:

O1c2c(ccc(OC(=O)c3ccccc3C)c2)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C23H16O4/c1-15-7-5-6-10-18(15)23(25)26-17-11-12-19-20(16-8-3-2-4-9-16)14-22(24)27-21(19)13-17/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.064 kcal/mol

Physical Properties
Molecular Weight: 356.377 g/mol	logS: -7.13647	SlogP: 4.38221	Reactive groups: 0

Topological Properties
Globularity: 0.085034	Sterimol/B1: 2.26198	Sterimol/B2: 3.59667	Sterimol/B3: 6.18876
Sterimol/B4: 7.2113	Sterimol/L: 17.7404

Surface and Volume Properties
Accessible surface: 617.356	Positive charged surface: 333.214	Negative charged surface: 284.143	Volume: 336.875
Hydrophobic surface: 529.789	Hydrophilic surface: 87.567

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.