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MMsINC code: MMs01700830

Type: Neutral
Formula: C₂₀H₂₅N₃O₂

SMILES:

Oc1ccccc1N1CCN(CC1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C20H25N3O2/c1-16(17-7-3-2-4-8-17)21-20(25)15-22-11-13-23(14-12-22)18-9-5-6-10-19(18)24/h2-10,16,24H,11-15H2,1H3,(H,21,25)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.085 kcal/mol

Physical Properties
Molecular Weight: 339.439 g/mol	logS: -3.26475	SlogP: 2.4871	Reactive groups: 0

Topological Properties
Globularity: 0.0632383	Sterimol/B1: 2.26345	Sterimol/B2: 2.54412	Sterimol/B3: 5.47438
Sterimol/B4: 5.87284	Sterimol/L: 19.7839

Surface and Volume Properties
Accessible surface: 634.145	Positive charged surface: 428.563	Negative charged surface: 205.582	Volume: 345.125
Hydrophobic surface: 530.295	Hydrophilic surface: 103.85

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01700831
ENAMINE-ZINC06830930