MMsINC Database Search


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MMsINC code: MMs00446321

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(Nc1ccccc1)NC(C)c1ccccc1

InChI:

InChI=1/C15H16N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2-12H,1H3,(H2,16,17,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8548 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.5233	SlogP: 3.6648	Reactive groups: 0

Topological Properties
Globularity: 0.0666311	Sterimol/B1: 1.969	Sterimol/B2: 2.8525	Sterimol/B3: 4.88228
Sterimol/B4: 5.15319	Sterimol/L: 16.0392

Surface and Volume Properties
Accessible surface: 495.2	Positive charged surface: 288.932	Negative charged surface: 206.268	Volume: 248.625
Hydrophobic surface: 423.951	Hydrophilic surface: 71.249

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.