MMsINC Database Search


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MMsINC code: MMs02571231

Type: Neutral
Formula: C₂₅H₂₀O₄

SMILES:

O1c2c(ccc(OC(=O)c3c(cc(cc3C)C)C)c2)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C25H20O4/c1-15-11-16(2)24(17(3)12-15)25(27)28-19-9-10-20-21(18-7-5-4-6-8-18)14-23(26)29-22(20)13-19/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.016 kcal/mol

Physical Properties
Molecular Weight: 384.431 g/mol	logS: -8.08431	SlogP: 4.99905	Reactive groups: 0

Topological Properties
Globularity: 0.0306617	Sterimol/B1: 3.36588	Sterimol/B2: 3.87777	Sterimol/B3: 4.32044
Sterimol/B4: 6.77154	Sterimol/L: 18.7513

Surface and Volume Properties
Accessible surface: 655.818	Positive charged surface: 351.662	Negative charged surface: 304.156	Volume: 375.5
Hydrophobic surface: 561.09	Hydrophilic surface: 94.728

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.