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MMsINC code: MMs02165157

Type: Neutral
Formula: C₂₄H₂₆N₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)N2CCN(CC2)Cc2ccncc2)cc1

InChI:

InChI=1/C24H26N4O2/c29-24(28-16-14-27(15-17-28)18-20-10-12-25-13-11-20)26-22-6-8-23(9-7-22)30-19-21-4-2-1-3-5-21/h1-13H,14-19H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.332 kcal/mol

Physical Properties
Molecular Weight: 402.498 g/mol	logS: -3.69697	SlogP: 4.5431	Reactive groups: 0

Topological Properties
Globularity: 0.0257566	Sterimol/B1: 3.48228	Sterimol/B2: 3.62274	Sterimol/B3: 4.5124
Sterimol/B4: 4.84151	Sterimol/L: 23.7787

Surface and Volume Properties
Accessible surface: 729.021	Positive charged surface: 510.276	Negative charged surface: 218.745	Volume: 399.875
Hydrophobic surface: 661.651	Hydrophilic surface: 67.37

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02165158
MAYBRIDGE-ZINC04307723