MMsINC Database Search


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MMsINC code: MMs02124977

Type: Neutral
Formula: C₂₄H₂₀O₄

SMILES:

O(C(=O)c1ccc(cc1)C)c1ccccc1C(=O)\C=C/c1ccccc1OC

InChI:

InChI=1/C24H20O4/c1-17-11-13-19(14-12-17)24(26)28-23-10-6-4-8-20(23)21(25)16-15-18-7-3-5-9-22(18)27-2/h3-16H,1-2H3/b16-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.925 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -6.60187	SlogP: 5.11892	Reactive groups: 1

Topological Properties
Globularity: 0.169204	Sterimol/B1: 4.08181	Sterimol/B2: 4.73358	Sterimol/B3: 5.22766
Sterimol/B4: 8.73779	Sterimol/L: 14.9564

Surface and Volume Properties
Accessible surface: 639.848	Positive charged surface: 398.513	Negative charged surface: 241.334	Volume: 367.375
Hydrophobic surface: 608.05	Hydrophilic surface: 31.798

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.