MMsINC Database Search


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MMsINC code: MMs00662909

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(Nc1c(cccc1CC)CC)c1cc(NC(=O)c2ccccc2)ccc1

InChI:

InChI=1/C24H24N2O2/c1-3-17-12-8-13-18(4-2)22(17)26-24(28)20-14-9-15-21(16-20)25-23(27)19-10-6-5-7-11-19/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.679 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.67624	SlogP: 5.31594	Reactive groups: 0

Topological Properties
Globularity: 0.0719968	Sterimol/B1: 2.50298	Sterimol/B2: 3.44554	Sterimol/B3: 4.59024
Sterimol/B4: 8.38565	Sterimol/L: 18.3129

Surface and Volume Properties
Accessible surface: 674.395	Positive charged surface: 383.729	Negative charged surface: 290.666	Volume: 377.625
Hydrophobic surface: 571.906	Hydrophilic surface: 102.489

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.