MMsINC Database Search


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MMsINC code: MMs00532407

Type: Neutral
Formula: C₁₄H₁₆N₂O₄

SMILES:

O=C1N(C(=O)CC1NCCCC(O)=O)c1ccccc1

InChI:

InChI=1/C14H16N2O4/c17-12-9-11(15-8-4-7-13(18)19)14(20)16(12)10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,18,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9524 kcal/mol

Physical Properties
Molecular Weight: 276.292 g/mol	logS: -1.74552	SlogP: 0.7729	Reactive groups: 0

Topological Properties
Globularity: 0.049845	Sterimol/B1: 2.82858	Sterimol/B2: 2.87207	Sterimol/B3: 3.23425
Sterimol/B4: 6.69136	Sterimol/L: 16.6703

Surface and Volume Properties
Accessible surface: 521.947	Positive charged surface: 317.088	Negative charged surface: 204.859	Volume: 257.125
Hydrophobic surface: 340.215	Hydrophilic surface: 181.732

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00532408
CHEMBLOCK-ZINC02500959