MMsINC Database Search


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MMsINC code: MMs02550304

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

OC(c1cc(ccc1)C)c1ccc(cc1)C

InChI:

InChI=1/C15H16O/c1-11-6-8-13(9-7-11)15(16)14-5-3-4-12(2)10-14/h3-10,15-16H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2683 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -3.87164	SlogP: 3.48064	Reactive groups: 0

Topological Properties
Globularity: 0.138617	Sterimol/B1: 2.51046	Sterimol/B2: 3.17402	Sterimol/B3: 4.78086
Sterimol/B4: 4.99032	Sterimol/L: 13.4918

Surface and Volume Properties
Accessible surface: 452.48	Positive charged surface: 254.955	Negative charged surface: 197.525	Volume: 230.25
Hydrophobic surface: 414.619	Hydrophilic surface: 37.861

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.