MMsINC Database Search


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MMsINC code: MMs00019774

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

O1C(c2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C14H10O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.894 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -3.65691	SlogP: 3.0419	Reactive groups: 0

Topological Properties
Globularity: 0.155061	Sterimol/B1: 2.62937	Sterimol/B2: 4.17222	Sterimol/B3: 4.62438
Sterimol/B4: 5.04555	Sterimol/L: 11.9204

Surface and Volume Properties
Accessible surface: 407.623	Positive charged surface: 204.528	Negative charged surface: 203.096	Volume: 205
Hydrophobic surface: 343.871	Hydrophilic surface: 63.752

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.