MMsINC Database Search


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MMsINC code: MMs01967696

Type: Neutral
Formula: C₁₉H₂₄N₄O₄

SMILES:

O=C1N(C)C(=O)N(C)C(=C1)CNC(=O)CCNC(=O)c1cc(cc(c1)C)C

InChI:

InChI=1/C19H24N4O4/c1-12-7-13(2)9-14(8-12)18(26)20-6-5-16(24)21-11-15-10-17(25)23(4)19(27)22(15)3/h7-10H,5-6,11H2,1-4H3,(H,20,26)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.9035 kcal/mol

Physical Properties
Molecular Weight: 372.425 g/mol	logS: -3.44267	SlogP: 0.94724	Reactive groups: 0

Topological Properties
Globularity: 0.0297605	Sterimol/B1: 1.969	Sterimol/B2: 3.6982	Sterimol/B3: 4.66347
Sterimol/B4: 7.60614	Sterimol/L: 21.2143

Surface and Volume Properties
Accessible surface: 673.865	Positive charged surface: 453.775	Negative charged surface: 220.09	Volume: 358.5
Hydrophobic surface: 507.766	Hydrophilic surface: 166.099

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.