MMsINC Database Search


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MMsINC code: MMs02197361

Type: Neutral
Formula: C₁₈H₁₂O₃

SMILES:

OC(=O)c1ccccc1C(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H12O3/c19-17(15-7-3-4-8-16(15)18(20)21)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9476 kcal/mol

Physical Properties
Molecular Weight: 276.291 g/mol	logS: -5.30497	SlogP: 3.769	Reactive groups: 0

Topological Properties
Globularity: 0.12777	Sterimol/B1: 2.76536	Sterimol/B2: 3.93806	Sterimol/B3: 4.51807
Sterimol/B4: 4.67914	Sterimol/L: 14.658

Surface and Volume Properties
Accessible surface: 485.362	Positive charged surface: 245.328	Negative charged surface: 229.24	Volume: 262
Hydrophobic surface: 382.471	Hydrophilic surface: 102.891

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02197362
NANOSIN-ZINC01512447