MMsINC Database Search


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MMsINC code: MMs02216597

Type: Neutral
Formula: C₁₉H₁₂O₂

SMILES:

OC(=O)c1c2c(c3c(c1)cccc3)c1c(cc2)cccc1

InChI:

InChI=1/C19H12O2/c20-19(21)17-11-13-6-2-4-8-15(13)18-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.604 kcal/mol

Physical Properties
Molecular Weight: 272.303 g/mol	logS: -6.98792	SlogP: 4.8444	Reactive groups: 0

Topological Properties
Globularity: 0.0115764	Sterimol/B1: 2.43806	Sterimol/B2: 2.5486	Sterimol/B3: 5.73561
Sterimol/B4: 5.74741	Sterimol/L: 12.5777

Surface and Volume Properties
Accessible surface: 465.453	Positive charged surface: 230.801	Negative charged surface: 205.617	Volume: 259.875
Hydrophobic surface: 377.61	Hydrophilic surface: 87.843

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

MMs02216598
NCID-ZINC00402500