MMsINC Database Search


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MMsINC code: MMs01071487

Type: Neutral
Formula: C₂₄H₂₄N₄O₂

SMILES:

O=C1N(N(c2ncccc12)CC(=O)Nc1cccc(C)c1C)c1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.944 kcal/mol

Physical Properties
Molecular Weight: 400.482 g/mol	logS: -5.83189	SlogP: 4.33578	Reactive groups: 0

Topological Properties
Globularity: 0.145046	Sterimol/B1: 4.10728	Sterimol/B2: 4.27701	Sterimol/B3: 6.19092
Sterimol/B4: 8.4175	Sterimol/L: 14.8469

Surface and Volume Properties
Accessible surface: 683.067	Positive charged surface: 422.78	Negative charged surface: 260.287	Volume: 393
Hydrophobic surface: 604.316	Hydrophilic surface: 78.751

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.