MMsINC Database Search


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MMsINC code: MMs01223254

Type: Neutral
Formula: C₁₅H₁₉N₃O₃

SMILES:

O1CCN(CC1)c1ccc(NC2CC(=O)N(C)C2=O)cc1

InChI:

InChI=1/C15H19N3O3/c1-17-14(19)10-13(15(17)20)16-11-2-4-12(5-3-11)18-6-8-21-9-7-18/h2-5,13,16H,6-10H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.115 kcal/mol

Physical Properties
Molecular Weight: 289.335 g/mol	logS: -1.88488	SlogP: 0.6924	Reactive groups: 0

Topological Properties
Globularity: 0.0495837	Sterimol/B1: 2.5393	Sterimol/B2: 2.6143	Sterimol/B3: 4.80155
Sterimol/B4: 5.52029	Sterimol/L: 16.0758

Surface and Volume Properties
Accessible surface: 520.477	Positive charged surface: 384.905	Negative charged surface: 135.572	Volume: 276
Hydrophobic surface: 403.657	Hydrophilic surface: 116.82

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.