MMsINC Database Search


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MMsINC code: MMs02650915

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

Oc1ccc(cc1)CN1CCN(CC1)c1cccc(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.775 kcal/mol

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

Topological Properties
Globularity: 0.103887	Sterimol/B1: 3.25199	Sterimol/B2: 3.44529	Sterimol/B3: 5.32051
Sterimol/B4: 5.33629	Sterimol/L: 17.1382

Surface and Volume Properties
Accessible surface: 568.63	Positive charged surface: 390.301	Negative charged surface: 178.329	Volume: 313
Hydrophobic surface: 500.162	Hydrophilic surface: 68.468

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

MMs02650916
PUBCHEM-ZINC00292086