MMsINC Database Search


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MMsINC code: MMs01396018

Type: Neutral
Formula: C₂₃H₂₅N₃O₃

SMILES:

O=C1N(CC(=O)N2CCCC2)C(=O)NC1(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H25N3O3/c27-20(25-13-7-8-14-25)17-26-21(28)23(24-22(26)29,15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17H2,(H,24,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.682 kcal/mol

Physical Properties
Molecular Weight: 391.471 g/mol	logS: -4.31219	SlogP: 2.38474	Reactive groups: 0

Topological Properties
Globularity: 0.126731	Sterimol/B1: 2.46068	Sterimol/B2: 3.45577	Sterimol/B3: 4.53194
Sterimol/B4: 9.59159	Sterimol/L: 14.6569

Surface and Volume Properties
Accessible surface: 614.752	Positive charged surface: 407.82	Negative charged surface: 206.931	Volume: 380.25
Hydrophobic surface: 550.182	Hydrophilic surface: 64.57

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