MMsINC Database Search


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MMsINC code: MMs02323621

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(C)c1cc(O)c(cc1)Cc1ccccc1

InChI:

InChI=1/C14H14O2/c1-16-13-8-7-12(14(15)10-13)9-11-5-3-2-4-6-11/h2-8,10,15H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8889 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -2.87624	SlogP: 2.99157	Reactive groups: 0

Topological Properties
Globularity: 0.126614	Sterimol/B1: 2.58145	Sterimol/B2: 3.49141	Sterimol/B3: 4.69309
Sterimol/B4: 5.39429	Sterimol/L: 13.4976

Surface and Volume Properties
Accessible surface: 439.994	Positive charged surface: 290.203	Negative charged surface: 149.791	Volume: 222.5
Hydrophobic surface: 394.535	Hydrophilic surface: 45.459

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.