MMsINC Database Search


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MMsINC code: MMs01210829

Type: Neutral
Formula: C₂₄H₃₄N₄O₂

SMILES:

O(Cc1nc(nc(N2CCN(CC2)C(=O)CC(C)C)c1Cc1cc(ccc1)C)C)C

InChI:

InChI=1/C24H34N4O2/c1-17(2)13-23(29)27-9-11-28(12-10-27)24-21(15-20-8-6-7-18(3)14-20)22(16-30-5)25-19(4)26-24/h6-8,14,17H,9-13,15-16H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.036 kcal/mol

Physical Properties
Molecular Weight: 410.562 g/mol	logS: -4.51966	SlogP: 3.79171	Reactive groups: 0

Topological Properties
Globularity: 0.0950769	Sterimol/B1: 2.48531	Sterimol/B2: 3.81955	Sterimol/B3: 5.18697
Sterimol/B4: 10.3135	Sterimol/L: 18.45

Surface and Volume Properties
Accessible surface: 722.77	Positive charged surface: 541.79	Negative charged surface: 180.981	Volume: 425.875
Hydrophobic surface: 619.569	Hydrophilic surface: 103.201

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.