MMsINC Database Search


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MMsINC code: MMs01326700

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

O(CC(=O)N1CCc2c(C1)cccc2)c1ccc(N(C(=O)c2ccccc2)C)cc1

InChI:

InChI=1/C25H24N2O3/c1-26(25(29)20-8-3-2-4-9-20)22-11-13-23(14-12-22)30-18-24(28)27-16-15-19-7-5-6-10-21(19)17-27/h2-14H,15-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.462 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -5.31761	SlogP: 4.19327	Reactive groups: 0

Topological Properties
Globularity: 0.0169092	Sterimol/B1: 2.47219	Sterimol/B2: 3.61111	Sterimol/B3: 4.09083
Sterimol/B4: 7.49234	Sterimol/L: 20.9016

Surface and Volume Properties
Accessible surface: 687.12	Positive charged surface: 419.942	Negative charged surface: 267.178	Volume: 388.75
Hydrophobic surface: 619.154	Hydrophilic surface: 67.966

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.