MMsINC Database Search


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MMsINC code: MMs01021734

Type: Neutral
Formula: C₂₃H₂₄N₄O₃

SMILES:

O1Cc2c(n(nc2C(=O)N2CCN(CC2)c2cc(OC)ccc2)C)-c2c1cccc2

InChI:

InChI=1/C23H24N4O3/c1-25-22-18-8-3-4-9-20(18)30-15-19(22)21(24-25)23(28)27-12-10-26(11-13-27)16-6-5-7-17(14-16)29-2/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=212.703 kcal/mol

Physical Properties
Molecular Weight: 404.47 g/mol	logS: -4.39692	SlogP: 3.5761	Reactive groups: 0

Topological Properties
Globularity: 0.041005	Sterimol/B1: 2.39014	Sterimol/B2: 2.94615	Sterimol/B3: 4.458
Sterimol/B4: 7.54257	Sterimol/L: 20.4611

Surface and Volume Properties
Accessible surface: 673.265	Positive charged surface: 489.794	Negative charged surface: 183.471	Volume: 381.625
Hydrophobic surface: 583.041	Hydrophilic surface: 90.224

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: no related molecules available.