MMsINC Database Search


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MMsINC code: MMs00275011

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1

InChI:

InChI=1/C17H18N2O3/c20-16(18-11-14-7-3-1-4-8-14)12-19-17(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0166 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.5483	SlogP: 2.762	Reactive groups: 0

Topological Properties
Globularity: 0.0324979	Sterimol/B1: 3.32638	Sterimol/B2: 3.61712	Sterimol/B3: 3.61977
Sterimol/B4: 3.84818	Sterimol/L: 20.5802

Surface and Volume Properties
Accessible surface: 600.542	Positive charged surface: 365.513	Negative charged surface: 235.03	Volume: 293.875
Hydrophobic surface: 472.756	Hydrophilic surface: 127.786

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