MMsINC Database Search


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MMsINC code: MMs01071519

Type: Neutral
Formula: C₂₄H₂₄N₄O₃

SMILES:

O(CC)c1ccc(NC(=O)CN2N(C(=O)c3cccnc23)c2cc(ccc2)CC)cc1

InChI:

InChI=1/C24H24N4O3/c1-3-17-7-5-8-19(15-17)28-24(30)21-9-6-14-25-23(21)27(28)16-22(29)26-18-10-12-20(13-11-18)31-4-2/h5-15H,3-4,16H2,1-2H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.327 kcal/mol

Physical Properties
Molecular Weight: 416.481 g/mol	logS: -5.61639	SlogP: 4.06317	Reactive groups: 0

Topological Properties
Globularity: 0.116816	Sterimol/B1: 2.23709	Sterimol/B2: 2.27389	Sterimol/B3: 6.31912
Sterimol/B4: 11.8888	Sterimol/L: 17.045

Surface and Volume Properties
Accessible surface: 724.536	Positive charged surface: 475.575	Negative charged surface: 248.961	Volume: 403.375
Hydrophobic surface: 583.136	Hydrophilic surface: 141.4

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.