MMsINC Database Search


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MMsINC code: MMs00411878

Type: Neutral
Formula: C₂₄H₁₇N₃O₃

SMILES:

O=C1N(C(=Nc2c1cccc2)CCN1C(=O)c2c(cccc2)C1=O)c1ccccc1

InChI:

InChI=1/C24H17N3O3/c28-22-17-10-4-5-11-18(17)23(29)26(22)15-14-21-25-20-13-7-6-12-19(20)24(30)27(21)16-8-2-1-3-9-16/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5152 kcal/mol

Physical Properties
Molecular Weight: 395.418 g/mol	logS: -6.13543	SlogP: 4.0633	Reactive groups: 0

Topological Properties
Globularity: 0.0828871	Sterimol/B1: 2.46251	Sterimol/B2: 3.94062	Sterimol/B3: 4.05191
Sterimol/B4: 10.3277	Sterimol/L: 17.7081

Surface and Volume Properties
Accessible surface: 659.191	Positive charged surface: 357.91	Negative charged surface: 301.281	Volume: 366.75
Hydrophobic surface: 542.334	Hydrophilic surface: 116.857

Pharmacophoric Properties
Hydrogen bond donors: 0	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.