MMsINC Database Search


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MMsINC code: MMs01699520

Type: Neutral
Formula: C₂₃H₁₇N₃O₃

SMILES:

O=C1N(N=C(c2c1cccc2)C(=O)Nc1ccccc1C(=O)C)c1ccccc1

InChI:

InChI=1/C23H17N3O3/c1-15(27)17-11-7-8-14-20(17)24-22(28)21-18-12-5-6-13-19(18)23(29)26(25-21)16-9-3-2-4-10-16/h2-14H,1H3,(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.555 kcal/mol

Physical Properties
Molecular Weight: 383.407 g/mol	logS: -6.21802	SlogP: 3.8924	Reactive groups: 0

Topological Properties
Globularity: 0.0611681	Sterimol/B1: 2.32082	Sterimol/B2: 3.87955	Sterimol/B3: 4.9704
Sterimol/B4: 10.0135	Sterimol/L: 14.6967

Surface and Volume Properties
Accessible surface: 635.215	Positive charged surface: 354.003	Negative charged surface: 281.212	Volume: 356.5
Hydrophobic surface: 544.31	Hydrophilic surface: 90.905

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.