MMsINC Database Search


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MMsINC code: MMs01470228

Type: Neutral
Formula: C₂₃H₁₈O₅

SMILES:

O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)Cc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C23H18O5/c1-27-22(25)19-9-7-16(8-10-19)15-28-23(26)20-13-11-18(12-14-20)21(24)17-5-3-2-4-6-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.843 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.98905	SlogP: 4.3276	Reactive groups: 0

Topological Properties
Globularity: 0.0385943	Sterimol/B1: 2.48836	Sterimol/B2: 3.03801	Sterimol/B3: 4.88026
Sterimol/B4: 8.45306	Sterimol/L: 19.8941

Surface and Volume Properties
Accessible surface: 668.759	Positive charged surface: 388.423	Negative charged surface: 280.336	Volume: 358
Hydrophobic surface: 550.4	Hydrophilic surface: 118.359

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.