MMsINC Database Search


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MMsINC code: MMs00109165

Type: Neutral
Formula: C₁₇H₁₆O₃

SMILES:

o1c2c(ccc(OC)c2)c(-c2ccc(OC)cc2)c1C

InChI:

InChI=1/C17H16O3/c1-11-17(12-4-6-13(18-2)7-5-12)15-9-8-14(19-3)10-16(15)20-11/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7591 kcal/mol

Physical Properties
Molecular Weight: 268.312 g/mol	logS: -5.67074	SlogP: 4.42542	Reactive groups: 0

Topological Properties
Globularity: 0.0535076	Sterimol/B1: 2.42977	Sterimol/B2: 2.67772	Sterimol/B3: 4.1648
Sterimol/B4: 7.95415	Sterimol/L: 16.164

Surface and Volume Properties
Accessible surface: 514.68	Positive charged surface: 353.175	Negative charged surface: 156.539	Volume: 266.625
Hydrophobic surface: 481.504	Hydrophilic surface: 33.176

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.