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MMsINC code: MMs00111971

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)=81.9616 kcal/mol

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

Topological Properties
Globularity: 0.408214	Sterimol/B1: 2.52148	Sterimol/B2: 3.64596	Sterimol/B3: 6.89614
Sterimol/B4: 8.79458	Sterimol/L: 12.1491

Surface and Volume Properties
Accessible surface: 568.252	Positive charged surface: 373.177	Negative charged surface: 195.076	Volume: 323.375
Hydrophobic surface: 495.944	Hydrophilic surface: 72.308

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.