MMsINC Database Search


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MMsINC code: MMs01029326

Type: Neutral
Formula: C₂₄H₂₂N₄O₂

SMILES:

O=C1N(N=C(c2c1cccc2)Cc1ccncc1)CC(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C24H22N4O2/c1-2-17-6-5-7-19(14-17)26-23(29)16-28-24(30)21-9-4-3-8-20(21)22(27-28)15-18-10-12-25-13-11-18/h3-14H,2,15-16H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.143 kcal/mol

Physical Properties
Molecular Weight: 398.466 g/mol	logS: -5.64226	SlogP: 3.68524	Reactive groups: 0

Topological Properties
Globularity: 0.0852713	Sterimol/B1: 3.52111	Sterimol/B2: 4.92315	Sterimol/B3: 6.43584
Sterimol/B4: 6.56781	Sterimol/L: 18.193

Surface and Volume Properties
Accessible surface: 694.666	Positive charged surface: 456.299	Negative charged surface: 238.367	Volume: 388.75
Hydrophobic surface: 574.362	Hydrophilic surface: 120.304

Pharmacophoric Properties
Hydrogen bond donors: 1	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.