MMsINC Database Search


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MMsINC code: MMs03219189

Type: Neutral
Formula: C₂₃H₁₆O₃

SMILES:

O(C(=O)C)c1c2c3c4c(ccc3ccc2)c(OC)c2c(c4c1)cccc2

InChI:

InChI=1/C23H16O3/c1-13(24)26-20-12-19-15-7-3-4-8-16(15)23(25-2)18-11-10-14-6-5-9-17(20)21(14)22(18)19/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.503 kcal/mol

Physical Properties
Molecular Weight: 340.378 g/mol	logS: -8.7518	SlogP: 5.6711	Reactive groups: 0

Topological Properties
Globularity: 0.0395825	Sterimol/B1: 2.75338	Sterimol/B2: 3.23028	Sterimol/B3: 3.86517
Sterimol/B4: 8.48766	Sterimol/L: 14.4964

Surface and Volume Properties
Accessible surface: 561.717	Positive charged surface: 302.797	Negative charged surface: 217.795	Volume: 325.625
Hydrophobic surface: 515.837	Hydrophilic surface: 45.88

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: 0

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Ions/Tautomers related molecules: no related molecules available.