MMsINC Database Search


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MMsINC code: MMs00731545

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O(Cn1c2c(cc(cc2)C)c2c1cccc2)C

InChI:

InChI=1/C15H15NO/c1-11-7-8-15-13(9-11)12-5-3-4-6-14(12)16(15)10-17-2/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.736 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -3.73753	SlogP: 3.97322	Reactive groups: 0

Topological Properties
Globularity: 0.0357239	Sterimol/B1: 2.7539	Sterimol/B2: 2.96889	Sterimol/B3: 4.54812
Sterimol/B4: 6.9373	Sterimol/L: 12.4786

Surface and Volume Properties
Accessible surface: 464.558	Positive charged surface: 285.153	Negative charged surface: 167.689	Volume: 234.25
Hydrophobic surface: 449.392	Hydrophilic surface: 15.166

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.