MMsINC Database Search


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MMsINC code: MMs02900467

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

Oc1cc(O)ccc1C(=O)CCc1ccccc1

InChI:

InChI=1/C15H14O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16,18H,6,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.8023 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -2.67718	SlogP: 2.91327	Reactive groups: 0

Topological Properties
Globularity: 0.0649426	Sterimol/B1: 3.37635	Sterimol/B2: 3.59013	Sterimol/B3: 3.7588
Sterimol/B4: 5.09603	Sterimol/L: 15.2032

Surface and Volume Properties
Accessible surface: 481.368	Positive charged surface: 284.55	Negative charged surface: 196.817	Volume: 238.625
Hydrophobic surface: 361.47	Hydrophilic surface: 119.898

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.