MMsINC Database Search


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MMsINC code: MMs00753051

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CC(=O)N1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.536 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.79881	SlogP: 4.0812	Reactive groups: 0

Topological Properties
Globularity: 0.0245835	Sterimol/B1: 3.41433	Sterimol/B2: 3.44733	Sterimol/B3: 4.06936
Sterimol/B4: 6.57035	Sterimol/L: 21.459

Surface and Volume Properties
Accessible surface: 672.082	Positive charged surface: 393.061	Negative charged surface: 267.95	Volume: 374.375
Hydrophobic surface: 617.793	Hydrophilic surface: 54.289

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: no related molecules available.