MMsINC Database Search


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MMsINC code: MMs01678909

Type: Neutral
Formula: C₂₃H₂₁N₅O₂

SMILES:

O(C)c1ccccc1Nc1ncccc1C(=O)Nc1n(ncc1)Cc1ccccc1

InChI:

InChI=1/C23H21N5O2/c1-30-20-12-6-5-11-19(20)26-22-18(10-7-14-24-22)23(29)27-21-13-15-25-28(21)16-17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,24,26)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.339 kcal/mol

Physical Properties
Molecular Weight: 399.454 g/mol	logS: -4.4879	SlogP: 4.5973	Reactive groups: 0

Topological Properties
Globularity: 0.0694673	Sterimol/B1: 2.682	Sterimol/B2: 3.70066	Sterimol/B3: 4.73305
Sterimol/B4: 9.39456	Sterimol/L: 18.4161

Surface and Volume Properties
Accessible surface: 676.762	Positive charged surface: 449.494	Negative charged surface: 227.268	Volume: 382.5
Hydrophobic surface: 613.683	Hydrophilic surface: 63.079

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.