MMsINC Database Search


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MMsINC code: MMs01176279

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)CC)c1c2c(ncc1)cccc2

InChI:

InChI=1/C19H18N2O/c1-2-21(14-15-8-4-3-5-9-15)19(22)17-12-13-20-18-11-7-6-10-16(17)18/h3-13H,2,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8358 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.10867	SlogP: 4.1635	Reactive groups: 0

Topological Properties
Globularity: 0.162612	Sterimol/B1: 2.40772	Sterimol/B2: 2.56518	Sterimol/B3: 6.38944
Sterimol/B4: 6.39492	Sterimol/L: 15.3205

Surface and Volume Properties
Accessible surface: 527.199	Positive charged surface: 323.291	Negative charged surface: 201.393	Volume: 296.875
Hydrophobic surface: 461.49	Hydrophilic surface: 65.709

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.