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MMsINC code: MMs01177585

Type: Neutral
Formula: C₂₃H₂₀N₄O

SMILES:

O=C(N(Cc1cccnc1)CCc1ccccc1)c1nc2ncccc2cc1

InChI:

InChI=1/C23H20N4O/c28-23(21-11-10-20-9-5-14-25-22(20)26-21)27(17-19-8-4-13-24-16-19)15-12-18-6-2-1-3-7-18/h1-11,13-14,16H,12,15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.052 kcal/mol

Physical Properties
Molecular Weight: 368.44 g/mol	logS: -4.95709	SlogP: 4.17627	Reactive groups: 0

Topological Properties
Globularity: 0.0877948	Sterimol/B1: 2.99301	Sterimol/B2: 3.59339	Sterimol/B3: 4.12089
Sterimol/B4: 10.4424	Sterimol/L: 15.1448

Surface and Volume Properties
Accessible surface: 595.77	Positive charged surface: 372.747	Negative charged surface: 217.832	Volume: 362.25
Hydrophobic surface: 536.799	Hydrophilic surface: 58.971

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.