MMsINC Database Search


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MMsINC code: MMs02741955

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1Cc2c(oc3cc(O)ccc23)-c2c1cc(O)cc2

InChI:

InChI=1/C15H10O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,16-17H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3939 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -4.67427	SlogP: 3.6698	Reactive groups: 0

Topological Properties
Globularity: 0.0101939	Sterimol/B1: 2.38802	Sterimol/B2: 2.68718	Sterimol/B3: 3.69274
Sterimol/B4: 4.75594	Sterimol/L: 14.8944

Surface and Volume Properties
Accessible surface: 449.801	Positive charged surface: 275.093	Negative charged surface: 168.574	Volume: 225.25
Hydrophobic surface: 315.592	Hydrophilic surface: 134.209

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.