MMsINC Database Search


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MMsINC code: MMs02164953

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(Nc1cc(C)c(cc1)C)c1ccccc1N

InChI:

InChI=1/C15H16N2O/c1-10-7-8-12(9-11(10)2)17-15(18)13-5-3-4-6-14(13)16/h3-9H,16H2,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7616 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -4.02359	SlogP: 3.13794	Reactive groups: 0

Topological Properties
Globularity: 0.0318957	Sterimol/B1: 2.55034	Sterimol/B2: 3.25128	Sterimol/B3: 3.97692
Sterimol/B4: 4.38837	Sterimol/L: 15.1692

Surface and Volume Properties
Accessible surface: 477.601	Positive charged surface: 290.395	Negative charged surface: 187.206	Volume: 244.875
Hydrophobic surface: 399.225	Hydrophilic surface: 78.376

Pharmacophoric Properties
Hydrogen bond donors: 2	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.