MMsINC Database Search


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MMsINC code: MMs01539775

Type: Neutral
Formula: C₁₉H₂₅N₃O₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)CN1C(=O)C2(NC1=O)CCC(CC2)C

InChI:

InChI=1/C19H25N3O4/c1-13-7-9-19(10-8-13)17(24)22(18(25)21-19)12-16(23)20-11-14-3-5-15(26-2)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1902 kcal/mol

Physical Properties
Molecular Weight: 359.426 g/mol	logS: -4.0117	SlogP: 2.0785	Reactive groups: 0

Topological Properties
Globularity: 0.0377914	Sterimol/B1: 2.61447	Sterimol/B2: 3.74712	Sterimol/B3: 4.33652
Sterimol/B4: 4.46537	Sterimol/L: 21.6642

Surface and Volume Properties
Accessible surface: 635.925	Positive charged surface: 444.477	Negative charged surface: 191.448	Volume: 343.75
Hydrophobic surface: 471.413	Hydrophilic surface: 164.512

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.