MMsINC Database Search


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MMsINC code: MMs02845186

Type: Neutral
Formula: C₉H₁₀O₂

SMILES:

O(CC=C)c1ccccc1O

InChI:

InChI=1/C9H10O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6,10H,1,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0563 kcal/mol

Physical Properties
Molecular Weight: 150.177 g/mol	logS: -1.56954	SlogP: 1.957	Reactive groups: 0

Topological Properties
Globularity: 0.0299108	Sterimol/B1: 2.097	Sterimol/B2: 3.07927	Sterimol/B3: 3.96581
Sterimol/B4: 4.40338	Sterimol/L: 12.2227

Surface and Volume Properties
Accessible surface: 360.183	Positive charged surface: 212.611	Negative charged surface: 147.573	Volume: 154.625
Hydrophobic surface: 244.693	Hydrophilic surface: 115.49

Pharmacophoric Properties
Hydrogen bond donors: 1	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.