MMsINC Database Search


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MMsINC code: MMs01864755

Type: Neutral
Formula: C₂₆H₂₄O₄

SMILES:

O1c2c(ccc(OCc3ccc(OC)cc3)c2C)C(C)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C26H24O4/c1-17-22-13-14-24(29-16-20-9-11-21(28-3)12-10-20)18(2)25(22)30-26(27)23(17)15-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.628 kcal/mol

Physical Properties
Molecular Weight: 400.474 g/mol	logS: -6.96949	SlogP: 5.78419	Reactive groups: 0

Topological Properties
Globularity: 0.0552068	Sterimol/B1: 2.18957	Sterimol/B2: 2.91806	Sterimol/B3: 5.34306
Sterimol/B4: 6.78116	Sterimol/L: 21.4253

Surface and Volume Properties
Accessible surface: 698.125	Positive charged surface: 433.121	Negative charged surface: 265.004	Volume: 394.5
Hydrophobic surface: 642.076	Hydrophilic surface: 56.049

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.