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MMsINC code: MMs00071969

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O=C(NC1CCN(CC1)Cc1ccccc1)c1ccccc1C

InChI:

InChI=1/C20H24N2O/c1-16-7-5-6-10-19(16)20(23)21-18-11-13-22(14-12-18)15-17-8-3-2-4-9-17/h2-10,18H,11-15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0396 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -4.2231	SlogP: 3.65582	Reactive groups: 0

Topological Properties
Globularity: 0.0866348	Sterimol/B1: 2.55243	Sterimol/B2: 2.80812	Sterimol/B3: 5.19877
Sterimol/B4: 6.46712	Sterimol/L: 17.2533

Surface and Volume Properties
Accessible surface: 591.886	Positive charged surface: 390.717	Negative charged surface: 201.169	Volume: 323.75
Hydrophobic surface: 560.292	Hydrophilic surface: 31.594

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

MMs00071970
ASINEX-ZINC00084461