MMsINC Database Search


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MMsINC code: MMs00102109

Type: Neutral
Formula: C₁₇H₁₀O₂

SMILES:

OC(=O)c1cc2c3c4c(cc2)cccc4ccc3c1

InChI:

InChI=1/C17H10O2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9825 kcal/mol

Physical Properties
Molecular Weight: 246.265 g/mol	logS: -6.43942	SlogP: 4.2822	Reactive groups: 0

Topological Properties
Globularity: 1.33936e-07	Sterimol/B1: 2.09756	Sterimol/B2: 2.09845	Sterimol/B3: 4.78628
Sterimol/B4: 5.11918	Sterimol/L: 13.9369

Surface and Volume Properties
Accessible surface: 435.841	Positive charged surface: 204.875	Negative charged surface: 197.752	Volume: 233.375
Hydrophobic surface: 341.031	Hydrophilic surface: 94.81

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

MMs00102110
ASINEX-ZINC00262160