MMsINC Database Search


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MMsINC code: MMs00096581

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1ccccc1CN1CCN(CC1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.519 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.12134	SlogP: 3.5458	Reactive groups: 0

Topological Properties
Globularity: 0.104195	Sterimol/B1: 1.969	Sterimol/B2: 2.15428	Sterimol/B3: 4.95024
Sterimol/B4: 7.81453	Sterimol/L: 15.0034

Surface and Volume Properties
Accessible surface: 565.797	Positive charged surface: 412.918	Negative charged surface: 152.879	Volume: 312.5
Hydrophobic surface: 551.488	Hydrophilic surface: 14.309

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

MMs00096582
ASINEX-ZINC00238992