MMsINC Database Search


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MMsINC code: MMs02850079

Type: Neutral
Formula: C₁₀H₁₄O

SMILES:

OCCc1cccc(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0482 kcal/mol

Physical Properties
Molecular Weight: 150.221 g/mol	logS: -2.16521	SlogP: 1.83821	Reactive groups: 0

Topological Properties
Globularity: 0.0995423	Sterimol/B1: 2.53331	Sterimol/B2: 2.79092	Sterimol/B3: 3.1083
Sterimol/B4: 5.90406	Sterimol/L: 11.1343

Surface and Volume Properties
Accessible surface: 359.62	Positive charged surface: 228.882	Negative charged surface: 130.739	Volume: 168.125
Hydrophobic surface: 305.186	Hydrophilic surface: 54.434

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.