MMsINC Database Search


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MMsINC code: MMs01231875

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O(C)c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C18H14N2O4/c1-24-16-10-14(13-4-2-3-5-15(13)20-16)17(21)19-12-8-6-11(7-9-12)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7596 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.27445	SlogP: 3.1939	Reactive groups: 0

Topological Properties
Globularity: 0.0169529	Sterimol/B1: 2.53755	Sterimol/B2: 2.56291	Sterimol/B3: 3.02467
Sterimol/B4: 8.78189	Sterimol/L: 16.4894

Surface and Volume Properties
Accessible surface: 559.368	Positive charged surface: 338.742	Negative charged surface: 215.435	Volume: 293.125
Hydrophobic surface: 403.609	Hydrophilic surface: 155.759

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01231876
ENAMINE-ZINC00503617