MMsINC Database Search


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MMsINC code: MMs03171338

Type: Neutral
Formula: C₂₄H₂₈O₂

SMILES:

O=C(C)c1c2CCCCc3ccc(cc3C(=O)C)CCCCc(c1)cc2

InChI:

InChI=1/C24H28O2/c1-17(25)23-15-19-7-3-4-8-20-12-14-22(24(16-20)18(2)26)10-6-5-9-21(23)13-11-19/h11-16H,3-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.208 kcal/mol

Physical Properties
Molecular Weight: 348.486 g/mol	logS: -7.4074	SlogP: 5.53588	Reactive groups: 0

Topological Properties
Globularity: 0.307217	Sterimol/B1: 2.45658	Sterimol/B2: 3.56514	Sterimol/B3: 4.72718
Sterimol/B4: 9.43857	Sterimol/L: 11.5642

Surface and Volume Properties
Accessible surface: 533.858	Positive charged surface: 356.133	Negative charged surface: 177.725	Volume: 364.875
Hydrophobic surface: 494.206	Hydrophilic surface: 39.652

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.