MMsINC Database Search


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MMsINC code: MMs00818326

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

Oc1ccccc1CN1CCN(CC1)c1cc(ccc1C)C

InChI:

InChI=1/C19H24N2O/c1-15-7-8-16(2)18(13-15)21-11-9-20(10-12-21)14-17-5-3-4-6-19(17)22/h3-8,13,22H,9-12,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.909 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.39936	SlogP: 3.59764	Reactive groups: 0

Topological Properties
Globularity: 0.11787	Sterimol/B1: 2.05391	Sterimol/B2: 3.99398	Sterimol/B3: 4.45927
Sterimol/B4: 7.71098	Sterimol/L: 15.4212

Surface and Volume Properties
Accessible surface: 567.562	Positive charged surface: 392.742	Negative charged surface: 174.82	Volume: 315.25
Hydrophobic surface: 509.468	Hydrophilic surface: 58.094

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00818327
CHEMBRIDGE-ZINC04980999