MMsINC Database Search


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MMsINC code: MMs01508211

Type: Neutral
Formula: C₁₉H₂₃N₃O₃

SMILES:

O(C)c1ccc(cc1)C(=O)NC(C(C)C)C(=O)NCc1ncccc1

InChI:

InChI=1/C19H23N3O3/c1-13(2)17(19(24)21-12-15-6-4-5-11-20-15)22-18(23)14-7-9-16(25-3)10-8-14/h4-11,13,17H,12H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6085 kcal/mol

Physical Properties
Molecular Weight: 341.411 g/mol	logS: -3.14739	SlogP: 2.4274	Reactive groups: 0

Topological Properties
Globularity: 0.0735906	Sterimol/B1: 2.46942	Sterimol/B2: 3.70572	Sterimol/B3: 4.29847
Sterimol/B4: 7.39418	Sterimol/L: 19.8776

Surface and Volume Properties
Accessible surface: 631.359	Positive charged surface: 428.843	Negative charged surface: 202.515	Volume: 338
Hydrophobic surface: 508.358	Hydrophilic surface: 123.001

Pharmacophoric Properties
Hydrogen bond donors: 2	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.