MMsINC Database Search


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MMsINC code: MMs03643433

Type: Neutral
Formula: C₂₄H₂₄O₃

SMILES:

O1c2c(ccc(OC)c2)C(C(C1(C)C)c1ccccc1)c1ccc(O)cc1

InChI:

InChI=1/C24H24O3/c1-24(2)23(17-7-5-4-6-8-17)22(16-9-11-18(25)12-10-16)20-14-13-19(26-3)15-21(20)27-24/h4-15,22-23,25H,1-3H3/t22-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.557 kcal/mol

Physical Properties
Molecular Weight: 360.453 g/mol	logS: -5.30837	SlogP: 5.4875	Reactive groups: 0

Topological Properties
Globularity: 0.151328	Sterimol/B1: 2.94903	Sterimol/B2: 3.02073	Sterimol/B3: 4.93767
Sterimol/B4: 10.0518	Sterimol/L: 16.3836

Surface and Volume Properties
Accessible surface: 604.506	Positive charged surface: 400.447	Negative charged surface: 204.059	Volume: 362.75
Hydrophobic surface: 507.688	Hydrophilic surface: 96.818

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.