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MMsINC code: MMs03256727

Type: Neutral
Formula: C₁₉H₂₉N₃O₂

SMILES:

O(C(=O)c1c2n(CCN(C)C)c(C)c(c2ccc1)C)CCN(C)C

InChI:

InChI=1/C19H29N3O2/c1-14-15(2)22(11-10-20(3)4)18-16(14)8-7-9-17(18)19(23)24-13-12-21(5)6/h7-9H,10-13H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5827 kcal/mol

Physical Properties
Molecular Weight: 331.46 g/mol	logS: -2.22016	SlogP: 2.80454	Reactive groups: 0

Topological Properties
Globularity: 0.159474	Sterimol/B1: 3.40813	Sterimol/B2: 3.86292	Sterimol/B3: 4.77388
Sterimol/B4: 9.03656	Sterimol/L: 15.0059

Surface and Volume Properties
Accessible surface: 610.686	Positive charged surface: 488.67	Negative charged surface: 116.245	Volume: 352.25
Hydrophobic surface: 589.429	Hydrophilic surface: 21.257

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs03256728
PUBCHEM-ZINC05394169