MMsINC Database Search


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MMsINC code: MMs00887639

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O=C(N(C(=O)c1cc(N(C)C)ccc1)c1ncccc1C)c1cc(N(C)C)ccc1

InChI:

InChI=1/C24H26N4O2/c1-17-9-8-14-25-22(17)28(23(29)18-10-6-12-20(15-18)26(2)3)24(30)19-11-7-13-21(16-19)27(4)5/h6-16H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=208.519 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -4.4725	SlogP: 4.00922	Reactive groups: 0

Topological Properties
Globularity: 0.0639676	Sterimol/B1: 2.38135	Sterimol/B2: 5.2054	Sterimol/B3: 5.27583
Sterimol/B4: 5.97018	Sterimol/L: 18.9582

Surface and Volume Properties
Accessible surface: 652.534	Positive charged surface: 478.768	Negative charged surface: 173.766	Volume: 400
Hydrophobic surface: 590.39	Hydrophilic surface: 62.144

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.