MMsINC Database Search


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MMsINC code: MMs02823791

Type: Neutral
Formula: C₁₀H₁₄O

SMILES:

O(Cc1ccccc1)CCC

InChI:

InChI=1/C10H14O/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.742 kcal/mol

Physical Properties
Molecular Weight: 150.221 g/mol	logS: -2.03006	SlogP: 2.8796	Reactive groups: 0

Topological Properties
Globularity: 0.0708836	Sterimol/B1: 2.55394	Sterimol/B2: 3.48276	Sterimol/B3: 3.61848
Sterimol/B4: 3.61861	Sterimol/L: 13.2764

Surface and Volume Properties
Accessible surface: 393.15	Positive charged surface: 266.211	Negative charged surface: 126.939	Volume: 173.125
Hydrophobic surface: 358.98	Hydrophilic surface: 34.17

Pharmacophoric Properties
Hydrogen bond donors: 0	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.