MMsINC Database Search


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MMsINC code: MMs02327751

Type: Neutral
Formula: C₁₄H₁₄O

SMILES:

O(Cc1ccccc1)c1ccccc1C

InChI:

InChI=1/C14H14O/c1-12-7-5-6-10-14(12)15-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6905 kcal/mol

Physical Properties
Molecular Weight: 198.265 g/mol	logS: -3.36363	SlogP: 3.84042	Reactive groups: 0

Topological Properties
Globularity: 0.0913157	Sterimol/B1: 2.11764	Sterimol/B2: 3.61504	Sterimol/B3: 3.62118
Sterimol/B4: 6.54611	Sterimol/L: 14.0364

Surface and Volume Properties
Accessible surface: 441.109	Positive charged surface: 255.592	Negative charged surface: 185.517	Volume: 215.625
Hydrophobic surface: 437.048	Hydrophilic surface: 4.061

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.