MMsINC Database Search


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MMsINC code: MMs03213003

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1cc(ccc1)CCN1CCN(CC1)c1ccccc1

InChI:

InChI=1/C19H24N2O/c1-22-19-9-5-6-17(16-19)10-11-20-12-14-21(15-13-20)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.404 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.23877	SlogP: 3.05987	Reactive groups: 0

Topological Properties
Globularity: 0.0268257	Sterimol/B1: 2.46378	Sterimol/B2: 2.77603	Sterimol/B3: 3.86984
Sterimol/B4: 5.39486	Sterimol/L: 19.4695

Surface and Volume Properties
Accessible surface: 587.251	Positive charged surface: 420.709	Negative charged surface: 166.541	Volume: 312.75
Hydrophobic surface: 562.49	Hydrophilic surface: 24.761

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs03213004
PUBCHEM-ZINC05141354