MMsINC Database Search


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MMsINC code: MMs02244925

Type: Neutral
Formula: C₁₀H₁₂O

SMILES:

OCC1Cc2c(C1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3726 kcal/mol

Physical Properties
Molecular Weight: 148.205 g/mol	logS: -1.47757	SlogP: 1.39364	Reactive groups: 0

Topological Properties
Globularity: 0.053143	Sterimol/B1: 2.72665	Sterimol/B2: 3.09756	Sterimol/B3: 3.32358
Sterimol/B4: 4.55902	Sterimol/L: 11.5731

Surface and Volume Properties
Accessible surface: 353.694	Positive charged surface: 238.827	Negative charged surface: 114.867	Volume: 159.625
Hydrophobic surface: 303.581	Hydrophilic surface: 50.113

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.