MMsINC Database Search


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MMsINC code: MMs02565589

Type: Neutral
Formula: C₂₆H₂₄O₃

SMILES:

O1c2c(ccc(c2)C)C(=O)C(OCCCc2ccccc2)=C1c1ccc(cc1)C

InChI:

InChI=1/C26H24O3/c1-18-10-13-21(14-11-18)25-26(28-16-6-9-20-7-4-3-5-8-20)24(27)22-15-12-19(2)17-23(22)29-25/h3-5,7-8,10-15,17H,6,9,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.782 kcal/mol

Physical Properties
Molecular Weight: 384.475 g/mol	logS: -7.61388	SlogP: 5.89671	Reactive groups: 1

Topological Properties
Globularity: 0.0373023	Sterimol/B1: 2.32305	Sterimol/B2: 3.45987	Sterimol/B3: 3.47272
Sterimol/B4: 10.5344	Sterimol/L: 19.5881

Surface and Volume Properties
Accessible surface: 705.507	Positive charged surface: 424.306	Negative charged surface: 281.201	Volume: 392.125
Hydrophobic surface: 668.623	Hydrophilic surface: 36.884

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.