MMsINC Database Search


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MMsINC code: MMs01080712

Type: Neutral
Formula: C₂₄H₁₇N₃O₂

SMILES:

o1c2cccnc2nc1-c1cccc(NC(=O)c2c3c(ccc2)cccc3)c1C

InChI:

InChI=1/C24H17N3O2/c1-15-17(24-27-22-21(29-24)13-6-14-25-22)10-5-12-20(15)26-23(28)19-11-4-8-16-7-2-3-9-18(16)19/h2-14H,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.336 kcal/mol

Physical Properties
Molecular Weight: 379.419 g/mol	logS: -9.16037	SlogP: 5.60372	Reactive groups: 0

Topological Properties
Globularity: 0.0306942	Sterimol/B1: 3.11572	Sterimol/B2: 3.56739	Sterimol/B3: 4.09064
Sterimol/B4: 6.65704	Sterimol/L: 19.8333

Surface and Volume Properties
Accessible surface: 639.381	Positive charged surface: 359.991	Negative charged surface: 269.442	Volume: 360.625
Hydrophobic surface: 560.024	Hydrophilic surface: 79.357

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.