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MMsINC code: MMs02141982

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(NNc1cc(C)c(cc1)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8876 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -4	SlogP: 3.06034	Reactive groups: 0

Topological Properties
Globularity: 0.00546323	Sterimol/B1: 2.10315	Sterimol/B2: 2.51208	Sterimol/B3: 2.62914
Sterimol/B4: 5.72995	Sterimol/L: 15.6529

Surface and Volume Properties
Accessible surface: 490.871	Positive charged surface: 266.121	Negative charged surface: 224.75	Volume: 248
Hydrophobic surface: 429.341	Hydrophilic surface: 61.53

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.