MMsINC Database Search


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MMsINC code: MMs00594823

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

o1cc(c2cc(OC)ccc12)C(O)c1ccccc1

InChI:

InChI=1/C16H14O3/c1-18-12-7-8-15-13(9-12)14(10-19-15)16(17)11-5-3-2-4-6-11/h2-10,16-17H,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5367 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -4.41951	SlogP: 3.6186	Reactive groups: 0

Topological Properties
Globularity: 0.0993566	Sterimol/B1: 3.34856	Sterimol/B2: 3.37418	Sterimol/B3: 3.59498
Sterimol/B4: 6.35629	Sterimol/L: 13.237

Surface and Volume Properties
Accessible surface: 476.425	Positive charged surface: 273.293	Negative charged surface: 198.032	Volume: 249.125
Hydrophobic surface: 413.888	Hydrophilic surface: 62.537

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.