MMsINC Database Search


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MMsINC code: MMs03007660

Type: Neutral
Formula: C₁₇H₂₄N₂O₄

SMILES:

O(C(=O)c1cc(NC(=O)\C=C(/O)\C(C)(C)C)c(N(C)C)cc1)C

InChI:

InChI=1/C17H24N2O4/c1-17(2,3)14(20)10-15(21)18-12-9-11(16(22)23-6)7-8-13(12)19(4)5/h7-10,20H,1-6H3,(H,18,21)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.351 kcal/mol

Physical Properties
Molecular Weight: 320.389 g/mol	logS: -2.68868	SlogP: 2.9657	Reactive groups: 0

Topological Properties
Globularity: 0.0594261	Sterimol/B1: 2.88055	Sterimol/B2: 4.24459	Sterimol/B3: 5.30096
Sterimol/B4: 7.04685	Sterimol/L: 15.8582

Surface and Volume Properties
Accessible surface: 599.203	Positive charged surface: 452.814	Negative charged surface: 146.389	Volume: 320
Hydrophobic surface: 452.407	Hydrophilic surface: 146.796

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03007664 PUBCHEM-ZINC03204267	MMs03007661 PUBCHEM-ZINC03204267	MMs03007662 PUBCHEM-ZINC03204267
MMs03007663 PUBCHEM-ZINC03204267