MMsINC Database Search


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MMsINC code: MMs02491761

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

O1c2c3c4c(ccc(O)c4ccc3ccc2OC)C1C

InChI:

InChI=1/C17H14O3/c1-9-11-6-7-13(18)12-5-3-10-4-8-14(19-2)17(20-9)15(10)16(11)12/h3-9,18H,1-2H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4076 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -5.32906	SlogP: 4.2561	Reactive groups: 0

Topological Properties
Globularity: 0.0215416	Sterimol/B1: 2.24613	Sterimol/B2: 2.5554	Sterimol/B3: 3.19565
Sterimol/B4: 8.90434	Sterimol/L: 13.3376

Surface and Volume Properties
Accessible surface: 464.843	Positive charged surface: 300.923	Negative charged surface: 145.007	Volume: 251.625
Hydrophobic surface: 384.06	Hydrophilic surface: 80.783

Pharmacophoric Properties
Hydrogen bond donors: 1	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.