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MMsINC code: MMs01943199

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O(C)c1ccc(N2CCN(CC2)C(=O)c2c3CCCc3nc3c2cccc3)cc1

InChI:

InChI=1/C24H25N3O2/c1-29-18-11-9-17(10-12-18)26-13-15-27(16-14-26)24(28)23-19-5-2-3-7-21(19)25-22-8-4-6-20(22)23/h2-3,5,7,9-12H,4,6,8,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.264 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -4.50812	SlogP: 3.69444	Reactive groups: 0

Topological Properties
Globularity: 0.0937869	Sterimol/B1: 4.35004	Sterimol/B2: 4.61473	Sterimol/B3: 5.33098
Sterimol/B4: 5.94123	Sterimol/L: 18.7014

Surface and Volume Properties
Accessible surface: 649.582	Positive charged surface: 449.129	Negative charged surface: 197.556	Volume: 380.5
Hydrophobic surface: 584.754	Hydrophilic surface: 64.828

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.