MMsINC Database Search


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MMsINC code: MMs01359294

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(OCC(=O)N)=O

InChI:

InChI=1/C19H16N2O4/c1-24-13-8-6-12(7-9-13)17-10-15(19(23)25-11-18(20)22)14-4-2-3-5-16(14)21-17/h2-10H,11H2,1H3,(H2,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.235 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.07927	SlogP: 2.5525	Reactive groups: 0

Topological Properties
Globularity: 0.0059929	Sterimol/B1: 2.35989	Sterimol/B2: 2.43568	Sterimol/B3: 5.6971
Sterimol/B4: 8.93037	Sterimol/L: 14.9947

Surface and Volume Properties
Accessible surface: 596.003	Positive charged surface: 367.954	Negative charged surface: 216.671	Volume: 312.625
Hydrophobic surface: 423.037	Hydrophilic surface: 172.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.