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MMsINC code: MMs01183837

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O=C1N(Cc2c1cccc2)CC(=O)N(Cc1nccn1C)CCc1ccccc1

InChI:

InChI=1/C23H24N4O2/c1-25-14-12-24-21(25)16-26(13-11-18-7-3-2-4-8-18)22(28)17-27-15-19-9-5-6-10-20(19)23(27)29/h2-10,12,14H,11,13,15-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3877 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -3.54132	SlogP: 3.53937	Reactive groups: 0

Topological Properties
Globularity: 0.0968336	Sterimol/B1: 3.54608	Sterimol/B2: 4.08285	Sterimol/B3: 4.41915
Sterimol/B4: 8.92405	Sterimol/L: 17.5121

Surface and Volume Properties
Accessible surface: 659.205	Positive charged surface: 428.686	Negative charged surface: 230.518	Volume: 386.5
Hydrophobic surface: 560.705	Hydrophilic surface: 98.5

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.