MMsINC Database Search


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MMsINC code: MMs01673601

Type: Neutral
Formula: C₂₀H₂₃N₃O₄

SMILES:

O(C)c1cc(NC(=O)CN(C(=O)CNC(=O)c2ccc(cc2)C)C)ccc1

InChI:

InChI=1/C20H23N3O4/c1-14-7-9-15(10-8-14)20(26)21-12-19(25)23(2)13-18(24)22-16-5-4-6-17(11-16)27-3/h4-11H,12-13H2,1-3H3,(H,21,26)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.428 kcal/mol

Physical Properties
Molecular Weight: 369.421 g/mol	logS: -4.11832	SlogP: 1.83052	Reactive groups: 0

Topological Properties
Globularity: 0.0452782	Sterimol/B1: 2.46833	Sterimol/B2: 3.48677	Sterimol/B3: 4.624
Sterimol/B4: 9.18042	Sterimol/L: 20.4003

Surface and Volume Properties
Accessible surface: 679.577	Positive charged surface: 453.08	Negative charged surface: 226.497	Volume: 357.875
Hydrophobic surface: 553.699	Hydrophilic surface: 125.878

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.