MMsINC Database Search


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MMsINC code: MMs01935412

Type: Neutral
Formula: C₁₇H₂₃N₃O₄

SMILES:

O(C(=O)C(NC(=O)N1CCC(CC1)C(=O)N)Cc1ccccc1)C

InChI:

InChI=1/C17H23N3O4/c1-24-16(22)14(11-12-5-3-2-4-6-12)19-17(23)20-9-7-13(8-10-20)15(18)21/h2-6,13-14H,7-11H2,1H3,(H2,18,21)(H,19,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.6292 kcal/mol

Physical Properties
Molecular Weight: 333.388 g/mol	logS: -2.3233	SlogP: 0.67757	Reactive groups: 0

Topological Properties
Globularity: 0.102999	Sterimol/B1: 2.09044	Sterimol/B2: 3.50157	Sterimol/B3: 4.17291
Sterimol/B4: 10.8192	Sterimol/L: 15.5461

Surface and Volume Properties
Accessible surface: 593.709	Positive charged surface: 415.387	Negative charged surface: 178.322	Volume: 319.5
Hydrophobic surface: 439.44	Hydrophilic surface: 154.269

Pharmacophoric Properties
Hydrogen bond donors: 2	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.