MMsINC Database Search


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MMsINC code: MMs02893980

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O=C(N(c1ccccc1C)c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8079 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -3.47267	SlogP: 3.67962	Reactive groups: 0

Topological Properties
Globularity: 0.336037	Sterimol/B1: 2.54928	Sterimol/B2: 3.13498	Sterimol/B3: 5.60521
Sterimol/B4: 6.17127	Sterimol/L: 11.9885

Surface and Volume Properties
Accessible surface: 442.957	Positive charged surface: 243.906	Negative charged surface: 199.052	Volume: 236.25
Hydrophobic surface: 410.33	Hydrophilic surface: 32.627

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.