MMsINC Database Search


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MMsINC code: MMs02791312

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

OCc1ccc(cc1)-c1cc(ccc1)CC

InChI:

InChI=1/C15H16O/c1-2-12-4-3-5-15(10-12)14-8-6-13(11-16)7-9-14/h3-10,16H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0544 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -4.57142	SlogP: 3.67467	Reactive groups: 0

Topological Properties
Globularity: 0.030187	Sterimol/B1: 2.04845	Sterimol/B2: 2.26978	Sterimol/B3: 3.56415
Sterimol/B4: 6.43492	Sterimol/L: 14.443

Surface and Volume Properties
Accessible surface: 469.276	Positive charged surface: 270.697	Negative charged surface: 185.605	Volume: 228.125
Hydrophobic surface: 381.61	Hydrophilic surface: 87.666

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.