MMsINC Database Search


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MMsINC code: MMs03292087

Type: Neutral
Formula: C₁₇H₁₇NO₃

SMILES:

O(C(=O)C(NC(=O)Cc1ccccc1)c1ccccc1)C

InChI:

InChI=1/C17H17NO3/c1-21-17(20)16(14-10-6-3-7-11-14)18-15(19)12-13-8-4-2-5-9-13/h2-11,16H,12H2,1H3,(H,18,19)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7393 kcal/mol

Physical Properties
Molecular Weight: 283.327 g/mol	logS: -3.76855	SlogP: 2.35507	Reactive groups: 0

Topological Properties
Globularity: 0.0899582	Sterimol/B1: 2.00643	Sterimol/B2: 3.57388	Sterimol/B3: 3.86362
Sterimol/B4: 7.8166	Sterimol/L: 15.779

Surface and Volume Properties
Accessible surface: 551.712	Positive charged surface: 347.336	Negative charged surface: 204.376	Volume: 280.625
Hydrophobic surface: 495.874	Hydrophilic surface: 55.838

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.