MMsINC Database Search


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MMsINC code: MMs03807068

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O=C1CCN(C1)C(=O)C(NC(=O)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H20N2O3/c23-17-11-12-22(14-17)20(25)18(13-15-7-3-1-4-8-15)21-19(24)16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,21,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6814 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -3.78907	SlogP: 1.82907	Reactive groups: 0

Topological Properties
Globularity: 0.113505	Sterimol/B1: 2.2852	Sterimol/B2: 3.1123	Sterimol/B3: 4.20031
Sterimol/B4: 9.31489	Sterimol/L: 15.4781

Surface and Volume Properties
Accessible surface: 600.632	Positive charged surface: 337.312	Negative charged surface: 263.32	Volume: 327.5
Hydrophobic surface: 488.032	Hydrophilic surface: 112.6

Pharmacophoric Properties
Hydrogen bond donors: 1	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.