MMsINC Database Search


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MMsINC code: MMs02215377

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5778 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -3.3759	SlogP: 3.46437	Reactive groups: 0

Topological Properties
Globularity: 0.0646944	Sterimol/B1: 2.48064	Sterimol/B2: 3.9966	Sterimol/B3: 5.4548
Sterimol/B4: 6.03668	Sterimol/L: 19.8288

Surface and Volume Properties
Accessible surface: 637.107	Positive charged surface: 497.026	Negative charged surface: 140.082	Volume: 343.125
Hydrophobic surface: 566.382	Hydrophilic surface: 70.725

Pharmacophoric Properties
Hydrogen bond donors: 2	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.