MMsINC Database Search


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MMsINC code: MMs01135226

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O1CCN(CC1)c1nc(nc2c1CN(CC2)C(=O)c1cc2c(cc1)cccc2)C

InChI:

InChI=1/C23H24N4O2/c1-16-24-21-8-9-27(15-20(21)22(25-16)26-10-12-29-13-11-26)23(28)19-7-6-17-4-2-3-5-18(17)14-19/h2-7,14H,8-13,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.066 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -4.83289	SlogP: 3.23969	Reactive groups: 0

Topological Properties
Globularity: 0.150888	Sterimol/B1: 2.54078	Sterimol/B2: 5.48152	Sterimol/B3: 5.8199
Sterimol/B4: 6.46089	Sterimol/L: 15.8762

Surface and Volume Properties
Accessible surface: 632.497	Positive charged surface: 433.865	Negative charged surface: 188.994	Volume: 375.75
Hydrophobic surface: 552.322	Hydrophilic surface: 80.175

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.