MMsINC Database Search


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MMsINC code: MMs02997396

Type: Neutral
Formula: C₂₆H₂₆O₂

SMILES:

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

InChI:

InChI=1/C26H26O2/c1-17(2)19-5-9-21(10-6-19)25(27)23-13-15-24(16-14-23)26(28)22-11-7-20(8-12-22)18(3)4/h5-18H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.74 kcal/mol

Physical Properties
Molecular Weight: 370.492 g/mol	logS: -8.53922	SlogP: 6.3954	Reactive groups: 0

Topological Properties
Globularity: 0.0272278	Sterimol/B1: 2.44152	Sterimol/B2: 3.84772	Sterimol/B3: 4.21276
Sterimol/B4: 5.52828	Sterimol/L: 21.4237

Surface and Volume Properties
Accessible surface: 684.099	Positive charged surface: 407.067	Negative charged surface: 277.031	Volume: 389.875
Hydrophobic surface: 534.785	Hydrophilic surface: 149.314

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: 1

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Ions/Tautomers related molecules: no related molecules available.