MMsINC Database Search


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MMsINC code: MMs02742300

Type: Neutral
Formula: C₁₂H₁₀O₃

SMILES:

Oc1c(cccc1O)-c1ccccc1O

InChI:

InChI=1/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3885 kcal/mol

Physical Properties
Molecular Weight: 202.209 g/mol	logS: -2.72541	SlogP: 2.4704	Reactive groups: 0

Topological Properties
Globularity: 0.116032	Sterimol/B1: 2.47459	Sterimol/B2: 2.96681	Sterimol/B3: 4.06547
Sterimol/B4: 4.73464	Sterimol/L: 12.1256

Surface and Volume Properties
Accessible surface: 396.895	Positive charged surface: 234.41	Negative charged surface: 161.1	Volume: 190.875
Hydrophobic surface: 276.603	Hydrophilic surface: 120.292

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.