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MMsINC code: MMs00111969

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O=C(N(C1CC(Nc2c1cccc2)C)c1ccccc1)CCC

InChI:

InChI=1/C20H24N2O/c1-3-9-20(23)22(16-10-5-4-6-11-16)19-14-15(2)21-18-13-8-7-12-17(18)19/h4-8,10-13,15,19,21H,3,9,14H2,1-2H3/t15-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3012 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -4.44751	SlogP: 4.8606	Reactive groups: 0

Topological Properties
Globularity: 0.278201	Sterimol/B1: 2.47276	Sterimol/B2: 2.8009	Sterimol/B3: 5.96186
Sterimol/B4: 8.748	Sterimol/L: 12.1691

Surface and Volume Properties
Accessible surface: 564.975	Positive charged surface: 366.374	Negative charged surface: 198.602	Volume: 325
Hydrophobic surface: 487.305	Hydrophilic surface: 77.67

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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: no related molecules available.