MMsINC Database Search


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MMsINC code: MMs01738359

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

Oc1ccccc1N1C(=O)C(CC1=O)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C19H16N2O3/c1-20-11-14(12-6-2-3-7-15(12)20)13-10-18(23)21(19(13)24)16-8-4-5-9-17(16)22/h2-9,11,13,22H,10H2,1H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7266 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -3.42494	SlogP: 3.2902	Reactive groups: 0

Topological Properties
Globularity: 0.0804042	Sterimol/B1: 2.11952	Sterimol/B2: 3.74917	Sterimol/B3: 3.96146
Sterimol/B4: 7.24	Sterimol/L: 16.0085

Surface and Volume Properties
Accessible surface: 554.659	Positive charged surface: 312.557	Negative charged surface: 236.788	Volume: 302.625
Hydrophobic surface: 438.92	Hydrophilic surface: 115.739

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