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MMsINC code: MMs02893720

Type: Neutral
Formula: C₁₅H₁₉N₃O

SMILES:

O(C)c1ccc(cc1)CN(CCN)c1ncccc1

InChI:

InChI=1/C15H19N3O/c1-19-14-7-5-13(6-8-14)12-18(11-9-16)15-4-2-3-10-17-15/h2-8,10H,9,11-12,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0002 kcal/mol

Physical Properties
Molecular Weight: 257.337 g/mol	logS: -1.87505	SlogP: 2.3219	Reactive groups: 0

Topological Properties
Globularity: 0.0998619	Sterimol/B1: 2.7273	Sterimol/B2: 4.53484	Sterimol/B3: 5.5686
Sterimol/B4: 5.65296	Sterimol/L: 13.8799

Surface and Volume Properties
Accessible surface: 510.423	Positive charged surface: 381.719	Negative charged surface: 128.704	Volume: 266.875
Hydrophobic surface: 413.92	Hydrophilic surface: 96.503

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02893721
PUBCHEM-ZINC02526403