MMsINC Database Search


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MMsINC code: MMs02290945

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

O1C2C(c3c1cccc3)COc1cc(O)ccc12

InChI:

InChI=1/C15H12O3/c16-9-5-6-11-14(7-9)17-8-12-10-3-1-2-4-13(10)18-15(11)12/h1-7,12,15-16H,8H2/t12-,15+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9166 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.09886	SlogP: 3.0974	Reactive groups: 0

Topological Properties
Globularity: 0.031413	Sterimol/B1: 2.40508	Sterimol/B2: 3.53052	Sterimol/B3: 3.91377
Sterimol/B4: 4.66011	Sterimol/L: 14.2052

Surface and Volume Properties
Accessible surface: 438.459	Positive charged surface: 269.36	Negative charged surface: 169.099	Volume: 222.5
Hydrophobic surface: 366.937	Hydrophilic surface: 71.522

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.