MMsINC Database Search


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MMsINC code: MMs02474236

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

O=C(C(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C15H12O2/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7885 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -3.85051	SlogP: 2.68107	Reactive groups: 1

Topological Properties
Globularity: 0.0709326	Sterimol/B1: 3.35331	Sterimol/B2: 3.613	Sterimol/B3: 3.61326
Sterimol/B4: 5.18622	Sterimol/L: 14.488

Surface and Volume Properties
Accessible surface: 459.512	Positive charged surface: 246.116	Negative charged surface: 213.396	Volume: 225.875
Hydrophobic surface: 405.208	Hydrophilic surface: 54.304

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.