MMsINC Database Search


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MMsINC code: MMs03244935

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O=CN(C(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C15H15NO/c1-16(12-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6348 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -3.0892	SlogP: 2.9597	Reactive groups: 0

Topological Properties
Globularity: 0.303538	Sterimol/B1: 3.26383	Sterimol/B2: 3.66903	Sterimol/B3: 4.12659
Sterimol/B4: 6.29425	Sterimol/L: 11.7064

Surface and Volume Properties
Accessible surface: 446.566	Positive charged surface: 271.018	Negative charged surface: 175.548	Volume: 234.25
Hydrophobic surface: 392.379	Hydrophilic surface: 54.187

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.