MMsINC Database Search


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MMsINC code: MMs03923570

Type: Neutral
Formula: C₁₅H₁₀O₂

SMILES:

O=C/1c2c3c(cccc3ccc2)\C\1=C/C(=O)C

InChI:

InChI=1/C15H10O2/c1-9(16)8-13-11-6-2-4-10-5-3-7-12(14(10)11)15(13)17/h2-8H,1H3/b13-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.221 kcal/mol

Physical Properties
Molecular Weight: 222.243 g/mol	logS: -4.54419	SlogP: 3.0085	Reactive groups: 1

Topological Properties
Globularity: 0.011661	Sterimol/B1: 2.37079	Sterimol/B2: 2.47631	Sterimol/B3: 4.93675
Sterimol/B4: 5.14034	Sterimol/L: 12.7843

Surface and Volume Properties
Accessible surface: 419.455	Positive charged surface: 217.109	Negative charged surface: 190.971	Volume: 211.75
Hydrophobic surface: 351.427	Hydrophilic surface: 68.028

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.