MMsINC Database Search


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MMsINC code: MMs02718609

Type: Neutral
Formula: C₂₄H₂₄O₄

SMILES:

O(C)c1cc(OC)ccc1C(O)c1ccc(OCc2ccc(cc2)C=C)cc1

InChI:

InChI=1/C24H24O4/c1-4-17-5-7-18(8-6-17)16-28-20-11-9-19(10-12-20)24(25)22-14-13-21(26-2)15-23(22)27-3/h4-15,24-25H,1,16H2,2-3H3/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.864 kcal/mol

Physical Properties
Molecular Weight: 376.452 g/mol	logS: -5.93953	SlogP: 5.3694	Reactive groups: 0

Topological Properties
Globularity: 0.0833889	Sterimol/B1: 2.0622	Sterimol/B2: 3.8251	Sterimol/B3: 5.44408
Sterimol/B4: 8.05198	Sterimol/L: 20.7543

Surface and Volume Properties
Accessible surface: 689.544	Positive charged surface: 436.507	Negative charged surface: 253.037	Volume: 380.75
Hydrophobic surface: 594.08	Hydrophilic surface: 95.464

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.