MMsINC Database Search


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MMsINC code: MMs03147464

Type: Neutral
Formula: C₁₁H₁₀O₂

SMILES:

Oc1c2c(ccc1O)cccc2C

InChI:

InChI=1/C11H10O2/c1-7-3-2-4-8-5-6-9(12)11(13)10(7)8/h2-6,12-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3726 kcal/mol

Physical Properties
Molecular Weight: 174.199 g/mol	logS: -3.01278	SlogP: 2.55942	Reactive groups: 0

Topological Properties
Globularity: 0.0255201	Sterimol/B1: 1.969	Sterimol/B2: 2.17739	Sterimol/B3: 2.48232
Sterimol/B4: 6.83035	Sterimol/L: 10.1308

Surface and Volume Properties
Accessible surface: 354.02	Positive charged surface: 204.76	Negative charged surface: 139.246	Volume: 171.5
Hydrophobic surface: 274.517	Hydrophilic surface: 79.503

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