MMsINC Database Search


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MMsINC code: MMs01014749

Type: Ionized
Formula: C₁₈H₁₄NO₄-

SMILES:

O(C)c1cc2n(CC(=O)c3ccccc3)c(cc2cc1)C(=O)[O-]

InChI:

InChI=1/C18H15NO4/c1-23-14-8-7-13-9-16(18(21)22)19(15(13)10-14)11-17(20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4033 kcal/mol

Physical Properties
Molecular Weight: 308.313 g/mol	logS: -4.10119	SlogP: 2.1627	Reactive groups: 0

Topological Properties
Globularity: 0.0635929	Sterimol/B1: 2.55316	Sterimol/B2: 3.62715	Sterimol/B3: 3.77401
Sterimol/B4: 8.45401	Sterimol/L: 15.9729

Surface and Volume Properties
Accessible surface: 537.579	Positive charged surface: 300.126	Negative charged surface: 231.762	Volume: 289.125
Hydrophobic surface: 426.756	Hydrophilic surface: 110.823

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs01014748
CHEMDIV-ZINC06751684