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MMsINC code: MMs01856490

Type: Neutral
Formula: C₂₃H₂₂N₄O

SMILES:

o1c2c(ncnc2N2CCN(CC2)C\C=C\c2ccccc2)c2c1cccc2

InChI:

InChI=1/C23H22N4O/c1-2-7-18(8-3-1)9-6-12-26-13-15-27(16-14-26)23-22-21(24-17-25-23)19-10-4-5-11-20(19)28-22/h1-11,17H,12-16H2/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.109 kcal/mol

Physical Properties
Molecular Weight: 370.456 g/mol	logS: -6.10767	SlogP: 4.2114	Reactive groups: 0

Topological Properties
Globularity: 0.0482085	Sterimol/B1: 2.92084	Sterimol/B2: 2.92288	Sterimol/B3: 4.85509
Sterimol/B4: 7.69284	Sterimol/L: 19.7334

Surface and Volume Properties
Accessible surface: 668.371	Positive charged surface: 446.902	Negative charged surface: 216.258	Volume: 366.375
Hydrophobic surface: 566.431	Hydrophilic surface: 101.94

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

MMs01856491
IBS-ZINC02414949