MMsINC Database Search


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MMsINC code: MMs02755360

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O(C(=O)c1c2c(ccc1)cccc2)c1cc(ccc1C)CC

InChI:

InChI=1/C20H18O2/c1-3-15-12-11-14(2)19(13-15)22-20(21)18-10-6-8-16-7-4-5-9-17(16)18/h4-13H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7388 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -6.52643	SlogP: 4.92979	Reactive groups: 0

Topological Properties
Globularity: 0.136959	Sterimol/B1: 2.18597	Sterimol/B2: 4.06258	Sterimol/B3: 4.90279
Sterimol/B4: 6.05312	Sterimol/L: 15.7896

Surface and Volume Properties
Accessible surface: 556.305	Positive charged surface: 315.581	Negative charged surface: 229.067	Volume: 299.375
Hydrophobic surface: 515.071	Hydrophilic surface: 41.234

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

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Ions/Tautomers related molecules: no related molecules available.