MMsINC Database Search


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MMsINC code: MMs02987193

Type: Neutral
Formula: C₁₁H₁₀O

SMILES:

o1cc(cc1-c1ccccc1)C

InChI:

InChI=1/C11H10O/c1-9-7-11(12-8-9)10-5-3-2-4-6-10/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4006 kcal/mol

Physical Properties
Molecular Weight: 158.2 g/mol	logS: -3.53918	SlogP: 3.25502	Reactive groups: 0

Topological Properties
Globularity: 0.00823405	Sterimol/B1: 2.10055	Sterimol/B2: 2.51189	Sterimol/B3: 3.27547
Sterimol/B4: 4.30082	Sterimol/L: 12.5069

Surface and Volume Properties
Accessible surface: 368.113	Positive charged surface: 198.18	Negative charged surface: 169.932	Volume: 169
Hydrophobic surface: 361.68	Hydrophilic surface: 6.433

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