MMsINC Database Search


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MMsINC code: MMs01580685

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

O(C(=O)c1c2CCCCc2nc2c1cccc2)CC(=O)N

InChI:

InChI=1/C16H16N2O3/c17-14(19)9-21-16(20)15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1,3,5,7H,2,4,6,8-9H2,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8895 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.72252	SlogP: 1.75564	Reactive groups: 0

Topological Properties
Globularity: 0.0802297	Sterimol/B1: 2.71093	Sterimol/B2: 3.5236	Sterimol/B3: 3.93863
Sterimol/B4: 9.60877	Sterimol/L: 13.2398

Surface and Volume Properties
Accessible surface: 516.675	Positive charged surface: 325.416	Negative charged surface: 185.723	Volume: 265.875
Hydrophobic surface: 357.335	Hydrophilic surface: 159.34

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.