MMsINC Database Search


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MMsINC code: MMs01310476

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(C(=O)c1c2CCCCc2nc2c1cccc2)CC(=O)N1CCc2c1cccc2

InChI:

InChI=1/C24H22N2O3/c27-22(26-14-13-16-7-1-6-12-21(16)26)15-29-24(28)23-17-8-2-4-10-19(17)25-20-11-5-3-9-18(20)23/h1-2,4,6-8,10,12H,3,5,9,11,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.552 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -5.51827	SlogP: 3.85961	Reactive groups: 0

Topological Properties
Globularity: 0.0999245	Sterimol/B1: 2.74125	Sterimol/B2: 5.496	Sterimol/B3: 6.56018
Sterimol/B4: 6.6766	Sterimol/L: 16.6346

Surface and Volume Properties
Accessible surface: 657.298	Positive charged surface: 408.879	Negative charged surface: 243.344	Volume: 367.25
Hydrophobic surface: 574.392	Hydrophilic surface: 82.906

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.