MMsINC Database Search


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MMsINC code: MMs02253393

Type: Neutral
Formula: C₉H₁₀O₂

SMILES:

Oc1ccc(O)cc1CC=C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.5047 kcal/mol

Physical Properties
Molecular Weight: 150.177 g/mol	logS: -1.81914	SlogP: 1.82627	Reactive groups: 0

Topological Properties
Globularity: 0.110322	Sterimol/B1: 2.38067	Sterimol/B2: 3.29943	Sterimol/B3: 3.50505
Sterimol/B4: 5.14803	Sterimol/L: 10.534

Surface and Volume Properties
Accessible surface: 349.334	Positive charged surface: 216.171	Negative charged surface: 133.163	Volume: 154
Hydrophobic surface: 207.357	Hydrophilic surface: 141.977

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.