MMsINC Database Search


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MMsINC code: MMs02311067

Type: Neutral
Formula: C₁₆H₁₉N₃O

SMILES:

O=C(Nc1ccccc1)N(N(C)c1ccccc1C)C

InChI:

InChI=1/C16H19N3O/c1-13-9-7-8-12-15(13)18(2)19(3)16(20)17-14-10-5-4-6-11-14/h4-12H,1-3H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3946 kcal/mol

Physical Properties
Molecular Weight: 269.348 g/mol	logS: -3.0794	SlogP: 3.51012	Reactive groups: 0

Topological Properties
Globularity: 0.157028	Sterimol/B1: 3.59804	Sterimol/B2: 3.92474	Sterimol/B3: 4.58613
Sterimol/B4: 6.28407	Sterimol/L: 14.3504

Surface and Volume Properties
Accessible surface: 508.203	Positive charged surface: 323.377	Negative charged surface: 184.826	Volume: 279
Hydrophobic surface: 485.936	Hydrophilic surface: 22.267

Pharmacophoric Properties
Hydrogen bond donors: 1	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.