MMsINC Database Search


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MMsINC code: MMs02648301

Type: Neutral
Formula: C₁₆H₁₉NO₅

SMILES:

O(C(=O)c1ccccc1NC(=O)C(=O)CC(=O)C(C)(C)C)C

InChI:

InChI=1/C16H19NO5/c1-16(2,3)13(19)9-12(18)14(20)17-11-8-6-5-7-10(11)15(21)22-4/h5-8H,9H2,1-4H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7575 kcal/mol

Physical Properties
Molecular Weight: 305.33 g/mol	logS: -3.12599	SlogP: 1.9861	Reactive groups: 1

Topological Properties
Globularity: 0.0369588	Sterimol/B1: 2.84857	Sterimol/B2: 3.90729	Sterimol/B3: 3.94886
Sterimol/B4: 6.98426	Sterimol/L: 15.6589

Surface and Volume Properties
Accessible surface: 565.736	Positive charged surface: 372.722	Negative charged surface: 193.013	Volume: 291.125
Hydrophobic surface: 396.7	Hydrophilic surface: 169.036

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02648304 PUBCHEM-ZINC00268079	MMs02648305 PUBCHEM-ZINC00268079	MMs02648302 PUBCHEM-ZINC00268079
MMs02648303 PUBCHEM-ZINC00268079