MMsINC Database Search


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MMsINC code: MMs01160219

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O=C(NC(C)c1ccccc1)c1cc(NC(=O)c2ccccc2)ccc1N(C)C

InChI:

InChI=1/C24H25N3O2/c1-17(18-10-6-4-7-11-18)25-24(29)21-16-20(14-15-22(21)27(2)3)26-23(28)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,25,29)(H,26,28)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.869 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -5.52352	SlogP: 4.5914	Reactive groups: 0

Topological Properties
Globularity: 0.069367	Sterimol/B1: 2.18283	Sterimol/B2: 5.46247	Sterimol/B3: 6.76006
Sterimol/B4: 7.53918	Sterimol/L: 16.7426

Surface and Volume Properties
Accessible surface: 695.975	Positive charged surface: 437.789	Negative charged surface: 258.186	Volume: 392
Hydrophobic surface: 616.73	Hydrophilic surface: 79.245

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