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MMsINC code: MMs00688180

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(c1cc(ccc1)CN1CCN(CC1)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-24(21-9-3-1-4-10-21)26-16-14-25(15-17-26)19-20-8-7-13-23(18-20)28-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.415 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.02236	SlogP: 4.7033	Reactive groups: 0

Topological Properties
Globularity: 0.0618633	Sterimol/B1: 2.46084	Sterimol/B2: 3.80029	Sterimol/B3: 4.24236
Sterimol/B4: 8.3393	Sterimol/L: 19.3127

Surface and Volume Properties
Accessible surface: 669.589	Positive charged surface: 423.4	Negative charged surface: 246.189	Volume: 374.25
Hydrophobic surface: 628.47	Hydrophilic surface: 41.119

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00688181
CHEMBRIDGE-ZINC01209042