MMsINC Database Search


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MMsINC code: MMs00601233

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

Oc1ccc(cc1)C(=O)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H14O2/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h3-9,16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9443 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.04358	SlogP: 3.24004	Reactive groups: 0

Topological Properties
Globularity: 0.0383784	Sterimol/B1: 2.40565	Sterimol/B2: 2.73585	Sterimol/B3: 3.37782
Sterimol/B4: 5.80314	Sterimol/L: 13.909

Surface and Volume Properties
Accessible surface: 451.198	Positive charged surface: 254.896	Negative charged surface: 196.302	Volume: 228.125
Hydrophobic surface: 364.955	Hydrophilic surface: 86.243

Pharmacophoric Properties
Hydrogen bond donors: 1	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.