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MMsINC code: MMs03115484

Type: Neutral
Formula: C₂₃H₂₅N₃O₂

SMILES:

O(c1ccc(N(CCCN)C(=O)Nc2ccc(cc2)C)cc1)c1ccccc1

InChI:

InChI=1/C23H25N3O2/c1-18-8-10-19(11-9-18)25-23(27)26(17-5-16-24)20-12-14-22(15-13-20)28-21-6-3-2-4-7-21/h2-4,6-15H,5,16-17,24H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.964 kcal/mol

Physical Properties
Molecular Weight: 375.472 g/mol	logS: -5.29582	SlogP: 5.17462	Reactive groups: 0

Topological Properties
Globularity: 0.0395323	Sterimol/B1: 2.39993	Sterimol/B2: 2.97232	Sterimol/B3: 4.04878
Sterimol/B4: 11.5681	Sterimol/L: 19.0183

Surface and Volume Properties
Accessible surface: 687.683	Positive charged surface: 434.379	Negative charged surface: 253.304	Volume: 378.375
Hydrophobic surface: 599.441	Hydrophilic surface: 88.242

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

MMs03115485
PUBCHEM-ZINC04346411