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MMsINC code: MMs01844581

Type: Neutral
Formula: C₂₄H₂₉N₃O₂

SMILES:

O(C)c1cc2c(n(Cc3ccccc3)c(C)c2C(=O)CN2CCN(CC2)C)cc1

InChI:

InChI=1/C24H29N3O2/c1-18-24(23(28)17-26-13-11-25(2)12-14-26)21-15-20(29-3)9-10-22(21)27(18)16-19-7-5-4-6-8-19/h4-10,15H,11-14,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.318 kcal/mol

Physical Properties
Molecular Weight: 391.515 g/mol	logS: -3.94999	SlogP: 3.70312	Reactive groups: 0

Topological Properties
Globularity: 0.0707931	Sterimol/B1: 2.48404	Sterimol/B2: 3.04924	Sterimol/B3: 5.4596
Sterimol/B4: 10.7618	Sterimol/L: 17.8884

Surface and Volume Properties
Accessible surface: 683.169	Positive charged surface: 503.534	Negative charged surface: 174.099	Volume: 402.125
Hydrophobic surface: 636.108	Hydrophilic surface: 47.061

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs01844582
IBS-ZINC02365749