MMsINC Database Search


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MMsINC code: MMs02231173

Type: Neutral
Formula: C₁₀H₁₁NO₄

SMILES:

OC(=O)C(N)(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C10H11NO4/c11-10(8(12)13,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,13)(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0981 kcal/mol

Physical Properties
Molecular Weight: 209.201 g/mol	logS: -1.10295	SlogP: 0.09577	Reactive groups: 0

Topological Properties
Globularity: 0.167369	Sterimol/B1: 3.16244	Sterimol/B2: 3.68629	Sterimol/B3: 3.77442
Sterimol/B4: 4.04545	Sterimol/L: 12.058

Surface and Volume Properties
Accessible surface: 387.937	Positive charged surface: 214.494	Negative charged surface: 173.443	Volume: 186.625
Hydrophobic surface: 194.973	Hydrophilic surface: 192.964

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs02231174
NCID-ZINC01570963