MMsINC Database Search


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MMsINC code: MMs01858702

Type: Neutral
Formula: C₂₂H₂₀N₄O₂

SMILES:

o1c2c(nc(nc2N2CCN(CC2)C(=O)c2ccccc2)C)c2c1cccc2

InChI:

InChI=1/C22H20N4O2/c1-15-23-19-17-9-5-6-10-18(17)28-20(19)21(24-15)25-11-13-26(14-12-25)22(27)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.1 kcal/mol

Physical Properties
Molecular Weight: 372.428 g/mol	logS: -5.76283	SlogP: 3.64682	Reactive groups: 0

Topological Properties
Globularity: 0.0623532	Sterimol/B1: 2.03936	Sterimol/B2: 2.99872	Sterimol/B3: 5.00754
Sterimol/B4: 10.0952	Sterimol/L: 16.6662

Surface and Volume Properties
Accessible surface: 637.569	Positive charged surface: 411.612	Negative charged surface: 220.675	Volume: 353.875
Hydrophobic surface: 552.856	Hydrophilic surface: 84.713

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.