MMsINC Database Search


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MMsINC code: MMs02203219

Type: Neutral
Formula: C₂₅H₁₆O₃

SMILES:

O(Cc1ccccc1)c1c2c(cc3c1cccc3)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C25H16O3/c26-23-19-12-6-7-13-20(19)24(27)22-21(23)14-17-10-4-5-11-18(17)25(22)28-15-16-8-2-1-3-9-16/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.769 kcal/mol

Physical Properties
Molecular Weight: 364.4 g/mol	logS: -7.58116	SlogP: 5.4606	Reactive groups: 0

Topological Properties
Globularity: 0.0154523	Sterimol/B1: 2.40377	Sterimol/B2: 3.08338	Sterimol/B3: 3.08721
Sterimol/B4: 10.5404	Sterimol/L: 15.4592

Surface and Volume Properties
Accessible surface: 598.447	Positive charged surface: 305.658	Negative charged surface: 282.055	Volume: 351.25
Hydrophobic surface: 534.153	Hydrophilic surface: 64.294

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: 0

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Ions/Tautomers related molecules: no related molecules available.