MMsINC Database Search


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MMsINC code: MMs01382483

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

o1c2c(nc1N1CCC(CC1)C(OCc1c3c(ccc1)cccc3)=O)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.255 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -6.90685	SlogP: 5.2072	Reactive groups: 0

Topological Properties
Globularity: 0.0196271	Sterimol/B1: 2.85393	Sterimol/B2: 3.54661	Sterimol/B3: 4.07051
Sterimol/B4: 5.272	Sterimol/L: 22.2813

Surface and Volume Properties
Accessible surface: 676.543	Positive charged surface: 409.23	Negative charged surface: 256.242	Volume: 371
Hydrophobic surface: 594.972	Hydrophilic surface: 81.571

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.