MMsINC Database Search


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MMsINC code: MMs00699305

Type: Neutral
Formula: C₂₇H₂₀O₃

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccc(cc1)-c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C27H20O3/c28-26(23-17-15-22(16-18-23)21-11-5-2-6-12-21)24-13-7-8-14-25(24)27(29)30-19-20-9-3-1-4-10-20/h1-18H,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.544 kcal/mol

Physical Properties
Molecular Weight: 392.454 g/mol	logS: -8.0337	SlogP: 6.208	Reactive groups: 0

Topological Properties
Globularity: 0.112317	Sterimol/B1: 2.29667	Sterimol/B2: 3.74836	Sterimol/B3: 4.51895
Sterimol/B4: 10.721	Sterimol/L: 17.4171

Surface and Volume Properties
Accessible surface: 697.597	Positive charged surface: 355.715	Negative charged surface: 329.379	Volume: 390.875
Hydrophobic surface: 646.253	Hydrophilic surface: 51.344

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.