MMsINC Database Search


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MMsINC code: MMs02879164

Type: Neutral
Formula: C₂₄H₁₈O

SMILES:

Oc1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18O/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17,25H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.798 kcal/mol

Physical Properties
Molecular Weight: 322.407 g/mol	logS: -8.30207	SlogP: 6.3932	Reactive groups: 0

Topological Properties
Globularity: 0.0709861	Sterimol/B1: 2.56418	Sterimol/B2: 3.17473	Sterimol/B3: 3.3168
Sterimol/B4: 11.1344	Sterimol/L: 14.626

Surface and Volume Properties
Accessible surface: 598.993	Positive charged surface: 298.359	Negative charged surface: 280.27	Volume: 335.5
Hydrophobic surface: 574.913	Hydrophilic surface: 24.08

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.