MMsINC Database Search


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MMsINC code: MMs00245103

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O(C)c1ccc(cc1)CNC(=O)C1CCCN(C1)c1nc(ccn1)C

InChI:

InChI=1/C19H24N4O2/c1-14-9-10-20-19(22-14)23-11-3-4-16(13-23)18(24)21-12-15-5-7-17(25-2)8-6-15/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3139 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -3.42999	SlogP: 2.59282	Reactive groups: 0

Topological Properties
Globularity: 0.0625453	Sterimol/B1: 2.75692	Sterimol/B2: 2.76135	Sterimol/B3: 4.68502
Sterimol/B4: 8.49917	Sterimol/L: 17.6434

Surface and Volume Properties
Accessible surface: 644.514	Positive charged surface: 482.842	Negative charged surface: 161.671	Volume: 339.875
Hydrophobic surface: 563.745	Hydrophilic surface: 80.769

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.