MMsINC Database Search


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MMsINC code: MMs01071514

Type: Neutral
Formula: C₂₄H₂₄N₄O₂

SMILES:

O=C1N(N(c2ncccc12)CC(=O)Nc1cccc(C)c1C)c1cc(ccc1)CC

InChI:

InChI=1/C24H24N4O2/c1-4-18-9-6-10-19(14-18)28-24(30)20-11-7-13-25-23(20)27(28)15-22(29)26-21-12-5-8-16(2)17(21)3/h5-14H,4,15H2,1-3H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.434 kcal/mol

Physical Properties
Molecular Weight: 400.482 g/mol	logS: -5.87319	SlogP: 4.28131	Reactive groups: 0

Topological Properties
Globularity: 0.146762	Sterimol/B1: 2.63911	Sterimol/B2: 3.63453	Sterimol/B3: 5.88796
Sterimol/B4: 11.0487	Sterimol/L: 16.2264

Surface and Volume Properties
Accessible surface: 692.743	Positive charged surface: 437.522	Negative charged surface: 255.22	Volume: 393.875
Hydrophobic surface: 587.313	Hydrophilic surface: 105.43

Pharmacophoric Properties
Hydrogen bond donors: 1	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.