MMsINC Database Search


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MMsINC code: MMs02874471

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H24O2/c1-24(2,3)20-14-16-21(17-15-20)26-23(25)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,22H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.025 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -7.22245	SlogP: 5.7216	Reactive groups: 0

Topological Properties
Globularity: 0.0962415	Sterimol/B1: 2.64286	Sterimol/B2: 5.46649	Sterimol/B3: 5.5716
Sterimol/B4: 6.08484	Sterimol/L: 15.4405

Surface and Volume Properties
Accessible surface: 634.836	Positive charged surface: 369.419	Negative charged surface: 265.417	Volume: 361.125
Hydrophobic surface: 564.559	Hydrophilic surface: 70.277

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.