MMsINC Database Search


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MMsINC code: MMs00003131

Type: Neutral
Formula: C₁₄H₁₄O₂

SMILES:

O(C)c1ccc(cc1)-c1ccc(OC)cc1

InChI:

InChI=1/C14H14O2/c1-15-13-7-3-11(4-8-13)12-5-9-14(16-2)10-6-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3793 kcal/mol

Physical Properties
Molecular Weight: 214.264 g/mol	logS: -3.91202	SlogP: 3.3708	Reactive groups: 0

Topological Properties
Globularity: 0.00734175	Sterimol/B1: 2.3748	Sterimol/B2: 2.37857	Sterimol/B3: 3.9475
Sterimol/B4: 4.44643	Sterimol/L: 16.3616

Surface and Volume Properties
Accessible surface: 450.821	Positive charged surface: 292.721	Negative charged surface: 146.446	Volume: 220.375
Hydrophobic surface: 430.037	Hydrophilic surface: 20.784

Pharmacophoric Properties
Hydrogen bond donors: 0	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.