MMsINC Database Search


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

MMsINC code: MMs02181501

Type: Neutral
Formula: C₉H₁₀O

SMILES:

OC1(Cc2c1cccc2)C

InChI:

InChI=1/C9H10O/c1-9(10)6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9001 kcal/mol

Physical Properties
Molecular Weight: 134.178 g/mol	logS: -1.66698	SlogP: 1.76167	Reactive groups: 0

Topological Properties
Globularity: 0.147432	Sterimol/B1: 2.41242	Sterimol/B2: 3.50545	Sterimol/B3: 4.14596
Sterimol/B4: 4.22423	Sterimol/L: 9.93314

Surface and Volume Properties
Accessible surface: 324.678	Positive charged surface: 173.828	Negative charged surface: 114.651	Volume: 143.5
Hydrophobic surface: 262.851	Hydrophilic surface: 61.827

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