MMsINC Database Search


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MMsINC code: MMs01605053

Type: Neutral
Formula: C₁₉H₁₈N₄O₂

SMILES:

O=C(N1CCN(CC1)C(=O)c1n[nH]c2c1cccc2)c1ccccc1

InChI:

InChI=1/C19H18N4O2/c24-18(14-6-2-1-3-7-14)22-10-12-23(13-11-22)19(25)17-15-8-4-5-9-16(15)20-21-17/h1-9H,10-13H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.33 kcal/mol

Physical Properties
Molecular Weight: 334.379 g/mol	logS: -3.84398	SlogP: 2.1611	Reactive groups: 0

Topological Properties
Globularity: 0.0372264	Sterimol/B1: 2.4058	Sterimol/B2: 2.93606	Sterimol/B3: 3.36747
Sterimol/B4: 7.232	Sterimol/L: 17.1047

Surface and Volume Properties
Accessible surface: 574.471	Positive charged surface: 355.871	Negative charged surface: 212.461	Volume: 313.5
Hydrophobic surface: 462.611	Hydrophilic surface: 111.86

Pharmacophoric Properties
Hydrogen bond donors: 2	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.