MMsINC Database Search


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MMsINC code: MMs02091363

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

O1c2c(ccc(OC)c2)C(=O)CC1c1ccccc1

InChI:

InChI=1/C16H14O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6212 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -3.58921	SlogP: 3.4972	Reactive groups: 0

Topological Properties
Globularity: 0.0495121	Sterimol/B1: 2.48676	Sterimol/B2: 3.01139	Sterimol/B3: 3.41084
Sterimol/B4: 6.38855	Sterimol/L: 15.4644

Surface and Volume Properties
Accessible surface: 484.865	Positive charged surface: 300.916	Negative charged surface: 183.949	Volume: 244.75
Hydrophobic surface: 429.383	Hydrophilic surface: 55.482

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.