MMsINC Database Search


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MMsINC code: MMs02215373

Type: Neutral
Formula: C₁₅H₁₆N₄O₂

SMILES:

O=C(Nc1ccc(cc1)Cc1ccc(NC(=O)N)cc1)N

InChI:

InChI=1/C15H16N4O2/c16-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(17)21/h1-8H,9H2,(H3,16,18,20)(H3,17,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1541 kcal/mol

Physical Properties
Molecular Weight: 284.319 g/mol	logS: -3.79986	SlogP: 2.25857	Reactive groups: 0

Topological Properties
Globularity: 0.0934923	Sterimol/B1: 3.15001	Sterimol/B2: 3.35686	Sterimol/B3: 4.77215
Sterimol/B4: 4.77573	Sterimol/L: 17.5548

Surface and Volume Properties
Accessible surface: 527.137	Positive charged surface: 340.096	Negative charged surface: 187.041	Volume: 270.125
Hydrophobic surface: 273.525	Hydrophilic surface: 253.612

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 2	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.