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MMsINC code: MMs00780338

Type: Neutral
Formula: C₁₈H₁₉NO₄

SMILES:

Oc1cc(C(O)=O)c(NC(=O)c2ccc(cc2)C(C)(C)C)cc1

InChI:

InChI=1/C18H19NO4/c1-18(2,3)12-6-4-11(5-7-12)16(21)19-15-9-8-13(20)10-14(15)17(22)23/h4-10,20H,1-3H3,(H,19,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1654 kcal/mol

Physical Properties
Molecular Weight: 313.353 g/mol	logS: -4.9819	SlogP: 3.6402	Reactive groups: 0

Topological Properties
Globularity: 0.0335135	Sterimol/B1: 2.13534	Sterimol/B2: 4.21368	Sterimol/B3: 4.81768
Sterimol/B4: 5.40592	Sterimol/L: 17.0057

Surface and Volume Properties
Accessible surface: 549.979	Positive charged surface: 332.74	Negative charged surface: 217.238	Volume: 301.125
Hydrophobic surface: 336.497	Hydrophilic surface: 213.482

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs00780339
CHEMBRIDGE-ZINC04725058