MMsINC Database Search


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MMsINC code: MMs01591173

Type: Neutral
Formula: C₂₀H₁₂O₂

SMILES:

O=C1c2c(cccc2)C(=O)C1=Cc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H12O2/c21-19-16-7-3-4-8-17(16)20(22)18(19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2649 kcal/mol

Physical Properties
Molecular Weight: 284.314 g/mol	logS: -6.30473	SlogP: 4.3024	Reactive groups: 1

Topological Properties
Globularity: 0.0309586	Sterimol/B1: 2.6705	Sterimol/B2: 3.03768	Sterimol/B3: 3.33889
Sterimol/B4: 5.58189	Sterimol/L: 16.4758

Surface and Volume Properties
Accessible surface: 509.549	Positive charged surface: 260.386	Negative charged surface: 238.109	Volume: 276.875
Hydrophobic surface: 440.212	Hydrophilic surface: 69.337

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

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Ions/Tautomers related molecules: no related molecules available.