MMsINC Database Search


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MMsINC code: MMs02277290

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC(=O)Cc1ccccc1-c1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14O2/c19-18(20)12-14-7-2-4-10-16(14)17-11-5-8-13-6-1-3-9-15(13)17/h1-11H,12H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4484 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.72001	SlogP: 4.13387	Reactive groups: 0

Topological Properties
Globularity: 0.379291	Sterimol/B1: 2.96159	Sterimol/B2: 3.47202	Sterimol/B3: 6.46969
Sterimol/B4: 6.99134	Sterimol/L: 12.485

Surface and Volume Properties
Accessible surface: 477.163	Positive charged surface: 261.349	Negative charged surface: 208.018	Volume: 258
Hydrophobic surface: 394.151	Hydrophilic surface: 83.012

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02277291
NCID-ZINC01632855