MMsINC Database Search


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MMsINC code: MMs00364672

Type: Neutral
Formula: C₂₅H₁₆O₃

SMILES:

O1c2c(cc(O)cc2)C2(c3cc(O)ccc13)c1c(-c3c2cccc3)cccc1

InChI:

InChI=1/C25H16O3/c26-15-9-11-23-21(13-15)25(22-14-16(27)10-12-24(22)28-23)19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1-14,26-27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.743 kcal/mol

Physical Properties
Molecular Weight: 364.4 g/mol	logS: -7.07866	SlogP: 5.5666	Reactive groups: 0

Topological Properties
Globularity: 0.649778	Sterimol/B1: 2.59412	Sterimol/B2: 3.15151	Sterimol/B3: 8.69475
Sterimol/B4: 9.05649	Sterimol/L: 13.1709

Surface and Volume Properties
Accessible surface: 580.444	Positive charged surface: 325.985	Negative charged surface: 252.77	Volume: 344.25
Hydrophobic surface: 477.235	Hydrophilic surface: 103.209

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.