MMsINC Database Search


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MMsINC code: MMs01213447

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N1CCN(CC1)c1nc(nc(c1)C)-c1ccc(cc1)C

InChI:

InChI=1/C24H26N4O2/c1-17-7-9-19(10-8-17)23-25-18(2)15-22(26-23)27-11-13-28(14-12-27)24(29)20-5-4-6-21(16-20)30-3/h4-10,15-16H,11-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.445 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -6.03308	SlogP: 3.73144	Reactive groups: 0

Topological Properties
Globularity: 0.04537	Sterimol/B1: 2.73711	Sterimol/B2: 3.22455	Sterimol/B3: 5.21673
Sterimol/B4: 8.82086	Sterimol/L: 20.4236

Surface and Volume Properties
Accessible surface: 710.432	Positive charged surface: 480.057	Negative charged surface: 224.568	Volume: 398
Hydrophobic surface: 635.386	Hydrophilic surface: 75.046

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.