MMsINC Database Search


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MMsINC code: MMs00013669

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CO

InChI:

InChI=1/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.464 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -2.97418	SlogP: 3.2907	Reactive groups: 0

Topological Properties
Globularity: 0.0659198	Sterimol/B1: 3.5464	Sterimol/B2: 3.63612	Sterimol/B3: 3.70247
Sterimol/B4: 3.76659	Sterimol/L: 15.8408

Surface and Volume Properties
Accessible surface: 463.301	Positive charged surface: 277.018	Negative charged surface: 186.283	Volume: 221.25
Hydrophobic surface: 390.211	Hydrophilic surface: 73.09

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.