MMsINC Database Search


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MMsINC code: MMs02297473

Type: Neutral
Formula: C₁₀H₁₂O

SMILES:

OC1(CCC1)c1ccccc1

InChI:

InChI=1/C10H12O/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9443 kcal/mol

Physical Properties
Molecular Weight: 148.205 g/mol	logS: -1.91005	SlogP: 2.3696	Reactive groups: 0

Topological Properties
Globularity: 0.109016	Sterimol/B1: 3.0799	Sterimol/B2: 3.484	Sterimol/B3: 3.54099
Sterimol/B4: 4.18645	Sterimol/L: 10.8236

Surface and Volume Properties
Accessible surface: 344.362	Positive charged surface: 102.152	Negative charged surface: 104.245	Volume: 158.75
Hydrophobic surface: 310.506	Hydrophilic surface: 33.856

Pharmacophoric Properties
Hydrogen bond donors: 1	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.