MMsINC Database Search


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MMsINC code: MMs02879004

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(=C\c1ccc(N(C)C)cc1)/c1c(cccc1CC)CC

InChI:

InChI=1/C19H24N2/c1-5-16-8-7-9-17(6-2)19(16)20-14-15-10-12-18(13-11-15)21(3)4/h7-14H,5-6H2,1-4H3/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7733 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.58841	SlogP: 4.62794	Reactive groups: 0

Topological Properties
Globularity: 0.0878361	Sterimol/B1: 2.38929	Sterimol/B2: 3.28198	Sterimol/B3: 4.2348
Sterimol/B4: 8.76377	Sterimol/L: 16.3431

Surface and Volume Properties
Accessible surface: 567.83	Positive charged surface: 403.062	Negative charged surface: 164.769	Volume: 315.25
Hydrophobic surface: 524.161	Hydrophilic surface: 43.669

Pharmacophoric Properties
Hydrogen bond donors: 0	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.