MMsINC Database Search


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MMsINC code: MMs01886694

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

o1c2c(cc(OC)cc2)c2c1cccc2

InChI:

InChI=1/C13H10O2/c1-14-9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.351 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -4.72727	SlogP: 3.5946	Reactive groups: 0

Topological Properties
Globularity: 0.0060207	Sterimol/B1: 2.37438	Sterimol/B2: 2.37474	Sterimol/B3: 3.21806
Sterimol/B4: 5.0219	Sterimol/L: 13.7576

Surface and Volume Properties
Accessible surface: 402.589	Positive charged surface: 245.522	Negative charged surface: 144.876	Volume: 194.5
Hydrophobic surface: 380.456	Hydrophilic surface: 22.133

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.