MMsINC Database Search


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MMsINC code: MMs02285392

Type: Neutral
Formula: C₂₃H₂₀O₃

SMILES:

O(CC(O)COc1cc2c(cc1)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H20O3/c24-21(15-25-22-11-9-17-5-1-3-7-19(17)13-22)16-26-23-12-10-18-6-2-4-8-20(18)14-23/h1-14,21,24H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.313 kcal/mol

Physical Properties
Molecular Weight: 344.41 g/mol	logS: -6.8332	SlogP: 4.8117	Reactive groups: 0

Topological Properties
Globularity: 0.00756599	Sterimol/B1: 2.17984	Sterimol/B2: 3.36861	Sterimol/B3: 3.61573
Sterimol/B4: 4.61982	Sterimol/L: 21.7557

Surface and Volume Properties
Accessible surface: 644.976	Positive charged surface: 353.944	Negative charged surface: 269.787	Volume: 344.125
Hydrophobic surface: 586.551	Hydrophilic surface: 58.425

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.