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MMsINC code: MMs01452824

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NCc1ccccc1)C(N(Cc1ccccc1C)C)C

InChI:

InChI=1/C19H24N2O/c1-15-9-7-8-12-18(15)14-21(3)16(2)19(22)20-13-17-10-5-4-6-11-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.049 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.99793	SlogP: 3.66452	Reactive groups: 0

Topological Properties
Globularity: 0.060547	Sterimol/B1: 2.36725	Sterimol/B2: 3.48556	Sterimol/B3: 4.13445
Sterimol/B4: 6.90049	Sterimol/L: 18.0049

Surface and Volume Properties
Accessible surface: 574.058	Positive charged surface: 378.895	Negative charged surface: 195.163	Volume: 317.125
Hydrophobic surface: 524.164	Hydrophilic surface: 49.894

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01452825
ENAMINE-ZINC03454099