MMsINC Database Search


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MMsINC code: MMs00948338

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

O(C)c1ccccc1Nc1ncc(c2c1cccc2)C(=O)NCc1ncccc1

InChI:

InChI=1/C23H20N4O2/c1-29-21-12-5-4-11-20(21)27-22-18-10-3-2-9-17(18)19(15-25-22)23(28)26-14-16-8-6-7-13-24-16/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.655 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -4.79539	SlogP: 4.5784	Reactive groups: 0

Topological Properties
Globularity: 0.0381696	Sterimol/B1: 2.58717	Sterimol/B2: 4.64266	Sterimol/B3: 5.11186
Sterimol/B4: 8.35566	Sterimol/L: 17.8254

Surface and Volume Properties
Accessible surface: 674.002	Positive charged surface: 442.258	Negative charged surface: 221.153	Volume: 367.875
Hydrophobic surface: 600.992	Hydrophilic surface: 73.01

Pharmacophoric Properties
Hydrogen bond donors: 2	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.