MMsINC Database Search


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MMsINC code: MMs00181686

Type: Neutral
Formula: C₂₃H₁₈O₄

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(Oc1ccc(cc1)C(=O)CC)=O

InChI:

InChI=1/C23H18O4/c1-2-19(24)15-11-13-16(14-12-15)26-23(25)22-17-7-3-5-9-20(17)27-21-10-6-4-8-18(21)22/h3-14,22H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.841 kcal/mol

Physical Properties
Molecular Weight: 358.393 g/mol	logS: -6.26586	SlogP: 5.1225	Reactive groups: 0

Topological Properties
Globularity: 0.0847984	Sterimol/B1: 3.10903	Sterimol/B2: 4.62644	Sterimol/B3: 5.57957
Sterimol/B4: 6.54026	Sterimol/L: 16.6522

Surface and Volume Properties
Accessible surface: 622.562	Positive charged surface: 355.048	Negative charged surface: 267.514	Volume: 341.125
Hydrophobic surface: 548.813	Hydrophilic surface: 73.749

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: 1

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Ions/Tautomers related molecules: no related molecules available.