MMsINC Database Search


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MMsINC code: MMs01032301

Type: Neutral
Formula: C₂₃H₂₀N₄O₃

SMILES:

O=C1N(Cc2ccccc2)C(=O)N(c2ncccc12)CC(=O)Nc1ccccc1C

InChI:

InChI=1/C23H20N4O3/c1-16-8-5-6-12-19(16)25-20(28)15-26-21-18(11-7-13-24-21)22(29)27(23(26)30)14-17-9-3-2-4-10-17/h2-13H,14-15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2532 kcal/mol

Physical Properties
Molecular Weight: 400.438 g/mol	logS: -4.70384	SlogP: 3.87752	Reactive groups: 0

Topological Properties
Globularity: 0.107393	Sterimol/B1: 2.05946	Sterimol/B2: 4.66528	Sterimol/B3: 6.65194
Sterimol/B4: 7.51638	Sterimol/L: 17.9309

Surface and Volume Properties
Accessible surface: 663.673	Positive charged surface: 411.117	Negative charged surface: 252.556	Volume: 376.625
Hydrophobic surface: 570.78	Hydrophilic surface: 92.893

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.