MMsINC Database Search


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MMsINC code: MMs03754603

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

OC(=O)C(N)CNC(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C17H16N2O4/c18-14(17(22)23)10-19-16(21)13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14H,10,18H2,(H,19,21)(H,22,23)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.523 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -3.29102	SlogP: 1.0593	Reactive groups: 0

Topological Properties
Globularity: 0.0245143	Sterimol/B1: 2.42549	Sterimol/B2: 2.93734	Sterimol/B3: 2.96648
Sterimol/B4: 7.35799	Sterimol/L: 17.9734

Surface and Volume Properties
Accessible surface: 563.248	Positive charged surface: 319.254	Negative charged surface: 243.994	Volume: 290.75
Hydrophobic surface: 340.355	Hydrophilic surface: 222.893

Pharmacophoric Properties
Hydrogen bond donors: 4	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: no related molecules available.