MMsINC Database Search


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MMsINC code: MMs01311686

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

o1cccc1CNC(=O)COC(=O)c1cc2c(cc1OC)cccc2

InChI:

InChI=1/C19H17NO5/c1-23-17-10-14-6-3-2-5-13(14)9-16(17)19(22)25-12-18(21)20-11-15-7-4-8-24-15/h2-10H,11-12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0696 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -5.38691	SlogP: 3.181	Reactive groups: 0

Topological Properties
Globularity: 0.0147504	Sterimol/B1: 2.52032	Sterimol/B2: 3.04001	Sterimol/B3: 3.44736
Sterimol/B4: 9.305	Sterimol/L: 19.4294

Surface and Volume Properties
Accessible surface: 629.051	Positive charged surface: 379.969	Negative charged surface: 236.866	Volume: 317.875
Hydrophobic surface: 520.316	Hydrophilic surface: 108.735

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.