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MMsINC code: MMs03117478

Type: Neutral
Formula: C₂₃H₂₄N₄O₂

SMILES:

O=C(N(Cc1ccccc1)CCC(=O)NCCc1ccccc1)c1nccnc1

InChI:

InChI=1/C23H24N4O2/c28-22(26-13-11-19-7-3-1-4-8-19)12-16-27(18-20-9-5-2-6-10-20)23(29)21-17-24-14-15-25-21/h1-10,14-15,17H,11-13,16,18H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.526 kcal/mol

Physical Properties
Molecular Weight: 388.471 g/mol	logS: -2.71342	SlogP: 3.13437	Reactive groups: 0

Topological Properties
Globularity: 0.050311	Sterimol/B1: 2.63791	Sterimol/B2: 4.49009	Sterimol/B3: 4.58236
Sterimol/B4: 7.91216	Sterimol/L: 19.6873

Surface and Volume Properties
Accessible surface: 687.191	Positive charged surface: 453.525	Negative charged surface: 233.665	Volume: 388.625
Hydrophobic surface: 592.88	Hydrophilic surface: 94.311

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: no related molecules available.