MMsINC Database Search


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MMsINC code: MMs01239768

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

o1c2c(ccc(OC)c2)c(C)c1C(=O)c1ccccc1

InChI:

InChI=1/C17H14O3/c1-11-14-9-8-13(19-2)10-15(14)20-17(11)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6343 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -5.26679	SlogP: 3.98082	Reactive groups: 0

Topological Properties
Globularity: 0.00700019	Sterimol/B1: 1.969	Sterimol/B2: 2.32717	Sterimol/B3: 2.52034
Sterimol/B4: 7.94832	Sterimol/L: 15.8923

Surface and Volume Properties
Accessible surface: 491.75	Positive charged surface: 301.159	Negative charged surface: 185.19	Volume: 259.875
Hydrophobic surface: 454.077	Hydrophilic surface: 37.673

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.