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MMsINC code: MMs00453455

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)NC(C)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C18H20N2O3/c1-13(15-10-6-3-7-11-15)19-18(23)20-16(17(21)22)12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3,(H,21,22)(H2,19,20,23)/t13-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.8764 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.52465	SlogP: 2.83817	Reactive groups: 1

Topological Properties
Globularity: 0.109167	Sterimol/B1: 3.2138	Sterimol/B2: 3.29839	Sterimol/B3: 4.4248
Sterimol/B4: 8.53431	Sterimol/L: 13.8204

Surface and Volume Properties
Accessible surface: 585.401	Positive charged surface: 334.738	Negative charged surface: 250.663	Volume: 306.5
Hydrophobic surface: 442.256	Hydrophilic surface: 143.145

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00453456
AURORAFEINCHEMIE-ZINC02431365