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MMsINC code: MMs00104170

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O=C(Nc1cc(ccc1)Cc1ccncc1)CCC1CCCC1

InChI:

InChI=1/C20H24N2O/c23-20(9-8-16-4-1-2-5-16)22-19-7-3-6-18(15-19)14-17-10-12-21-13-11-17/h3,6-7,10-13,15-16H,1-2,4-5,8-9,14H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1912 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -5.1284	SlogP: 4.58127	Reactive groups: 0

Topological Properties
Globularity: 0.0594997	Sterimol/B1: 2.26044	Sterimol/B2: 2.9837	Sterimol/B3: 4.54171
Sterimol/B4: 8.0039	Sterimol/L: 17.9963

Surface and Volume Properties
Accessible surface: 609.309	Positive charged surface: 451.724	Negative charged surface: 157.584	Volume: 326.5
Hydrophobic surface: 551.815	Hydrophilic surface: 57.494

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: no related molecules available.