MMsINC Database Search


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MMsINC code: MMs01449146

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C(=O)C1(CC1)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C20H16O2/c21-19(20(12-13-20)17-8-2-1-3-9-17)22-18-11-10-15-6-4-5-7-16(15)14-18/h1-11,14H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.988 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -5.73979	SlogP: 4.477	Reactive groups: 0

Topological Properties
Globularity: 0.0645084	Sterimol/B1: 2.44605	Sterimol/B2: 2.81703	Sterimol/B3: 3.98632
Sterimol/B4: 7.37167	Sterimol/L: 15.6778

Surface and Volume Properties
Accessible surface: 540.533	Positive charged surface: 276.562	Negative charged surface: 253.713	Volume: 288.125
Hydrophobic surface: 478.258	Hydrophilic surface: 62.275

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.