MMsINC Database Search


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MMsINC code: MMs01312043

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

Oc1ccccc1CC(=O)c1cc(ccc1)C

InChI:

InChI=1/C15H14O2/c1-11-5-4-7-12(9-11)15(17)10-13-6-2-3-8-14(13)16/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1135 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.63113	SlogP: 3.12599	Reactive groups: 0

Topological Properties
Globularity: 0.0916993	Sterimol/B1: 2.38729	Sterimol/B2: 3.85852	Sterimol/B3: 3.91336
Sterimol/B4: 5.9458	Sterimol/L: 14.5771

Surface and Volume Properties
Accessible surface: 458.889	Positive charged surface: 263.514	Negative charged surface: 195.375	Volume: 233.25
Hydrophobic surface: 392.895	Hydrophilic surface: 65.994

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.