MMsINC Database Search


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MMsINC code: MMs01014703

Type: Neutral
Formula: C₁₉H₁₇NO₃

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)CC(=O)c1ccccc1)CC

InChI:

InChI=1/C19H17NO3/c1-2-23-19(22)17-12-15-10-6-7-11-16(15)20(17)13-18(21)14-8-4-3-5-9-14/h3-12H,2,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.8399 kcal/mol

Physical Properties
Molecular Weight: 307.349 g/mol	logS: -4.5299	SlogP: 3.9673	Reactive groups: 0

Topological Properties
Globularity: 0.0919516	Sterimol/B1: 2.74889	Sterimol/B2: 3.13435	Sterimol/B3: 4.27938
Sterimol/B4: 7.81534	Sterimol/L: 14.6538

Surface and Volume Properties
Accessible surface: 539.762	Positive charged surface: 305.876	Negative charged surface: 228.532	Volume: 302.875
Hydrophobic surface: 461.292	Hydrophilic surface: 78.47

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.