MMsINC Database Search


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MMsINC code: MMs02216686

Type: Neutral
Formula: C₁₄H₁₀O₃

SMILES:

Oc1c2c(ccc1O)c(O)c1c(c2)cccc1

InChI:

InChI=1/C14H10O3/c15-12-6-5-10-11(14(12)17)7-8-3-1-2-4-9(8)13(10)16/h1-7,15-17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0124 kcal/mol

Physical Properties
Molecular Weight: 226.231 g/mol	logS: -4.05479	SlogP: 3.1098	Reactive groups: 0

Topological Properties
Globularity: 0.00916821	Sterimol/B1: 2.12016	Sterimol/B2: 2.29407	Sterimol/B3: 3.12544
Sterimol/B4: 5.67627	Sterimol/L: 12.8541

Surface and Volume Properties
Accessible surface: 420.155	Positive charged surface: 227.994	Negative charged surface: 170.018	Volume: 209.375
Hydrophobic surface: 288.401	Hydrophilic surface: 131.754

Pharmacophoric Properties
Hydrogen bond donors: 3	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.