MMsINC Database Search


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MMsINC code: MMs01215562

Type: Neutral
Formula: C₂₄H₃₄N₄O₂

SMILES:

O(C)c1cc(ccc1)Cc1c(nc(nc1N1CCN(CC1)C(=O)CC(C)(C)C)C)C

InChI:

InChI=1/C24H34N4O2/c1-17-21(15-19-8-7-9-20(14-19)30-6)23(26-18(2)25-17)28-12-10-27(11-13-28)22(29)16-24(3,4)5/h7-9,14H,10-13,15-16H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.869 kcal/mol

Physical Properties
Molecular Weight: 410.562 g/mol	logS: -4.65561	SlogP: 3.77761	Reactive groups: 0

Topological Properties
Globularity: 0.100312	Sterimol/B1: 2.90657	Sterimol/B2: 4.51134	Sterimol/B3: 5.55851
Sterimol/B4: 9.41689	Sterimol/L: 17.4377

Surface and Volume Properties
Accessible surface: 705.397	Positive charged surface: 528.568	Negative charged surface: 176.829	Volume: 423.375
Hydrophobic surface: 602.777	Hydrophilic surface: 102.62

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.