MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01736708

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

o1c2c(cc(O)cc2)c(C(O)c2ccccc2)c1C

InChI:

InChI=1/C16H14O3/c1-10-15(16(18)11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-10/h2-9,16-18H,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1746 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -4.32057	SlogP: 3.62402	Reactive groups: 0

Topological Properties
Globularity: 0.159527	Sterimol/B1: 2.11701	Sterimol/B2: 3.0141	Sterimol/B3: 4.3631
Sterimol/B4: 8.45433	Sterimol/L: 12.295

Surface and Volume Properties
Accessible surface: 459.894	Positive charged surface: 246.947	Negative charged surface: 208.938	Volume: 245.75
Hydrophobic surface: 362.206	Hydrophilic surface: 97.688

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.