MMsINC Database Search


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MMsINC code: MMs03522293

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

Oc1c2c(c3c(cccc3)c1O)c(c1c(cccc1)c2C)C

InChI:

InChI=1/C20H16O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,21-22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.139 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -7.24246	SlogP: 5.17424	Reactive groups: 0

Topological Properties
Globularity: 0.0419758	Sterimol/B1: 2.04463	Sterimol/B2: 2.15475	Sterimol/B3: 3.43354
Sterimol/B4: 7.91167	Sterimol/L: 14.2367

Surface and Volume Properties
Accessible surface: 488.02	Positive charged surface: 269.969	Negative charged surface: 191.307	Volume: 282.75
Hydrophobic surface: 411.597	Hydrophilic surface: 76.423

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: 1

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Ions/Tautomers related molecules: no related molecules available.