MMsINC Database Search


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MMsINC code: MMs02734059

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

O(C)c1ccc(-n2nc(cc2NC(=O)Nc2ccccc2)-c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.876 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -6.16278	SlogP: 5.1919	Reactive groups: 0

Topological Properties
Globularity: 0.0298006	Sterimol/B1: 2.14758	Sterimol/B2: 2.5394	Sterimol/B3: 3.41645
Sterimol/B4: 13.7664	Sterimol/L: 16.6631

Surface and Volume Properties
Accessible surface: 680.433	Positive charged surface: 394.994	Negative charged surface: 285.439	Volume: 370
Hydrophobic surface: 609.709	Hydrophilic surface: 70.724

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.