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MMsINC code: MMs03467732

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)Nc1cc(ccc1C)C)Cc1ccccc1

InChI:

InChI=1/C18H20N2O3/c1-12-8-9-13(2)15(10-12)19-18(23)20-16(17(21)22)11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,21,22)(H2,19,20,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0523 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.88779	SlogP: 3.12081	Reactive groups: 0

Topological Properties
Globularity: 0.118672	Sterimol/B1: 3.12403	Sterimol/B2: 4.33578	Sterimol/B3: 5.01041
Sterimol/B4: 7.055	Sterimol/L: 14.0798

Surface and Volume Properties
Accessible surface: 578.65	Positive charged surface: 341.459	Negative charged surface: 237.191	Volume: 307.75
Hydrophobic surface: 458.044	Hydrophilic surface: 120.606

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03467733
PUBCHEM-ZINC05968066