MMsINC Database Search


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MMsINC code: MMs03248744

Type: Neutral
Formula: C₂₄H₁₆O₃

SMILES:

O1c2c(C=CC13Oc1c4c3ccc(OC)c4ccc1)c1c(cc2)cccc1

InChI:

InChI=1/C24H16O3/c1-25-20-12-10-19-23-18(20)7-4-8-22(23)27-24(19)14-13-17-16-6-3-2-5-15(16)9-11-21(17)26-24/h2-14H,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.677 kcal/mol

Physical Properties
Molecular Weight: 352.389 g/mol	logS: -7.8927	SlogP: 5.9641	Reactive groups: 0

Topological Properties
Globularity: 0.117271	Sterimol/B1: 2.17244	Sterimol/B2: 3.50641	Sterimol/B3: 5.02212
Sterimol/B4: 9.01245	Sterimol/L: 15.8034

Surface and Volume Properties
Accessible surface: 574.019	Positive charged surface: 329.555	Negative charged surface: 227	Volume: 332.375
Hydrophobic surface: 535.167	Hydrophilic surface: 38.852

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

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Ions/Tautomers related molecules: no related molecules available.