MMsINC Database Search


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MMsINC code: MMs03964777

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1cccc(N)c1C

InChI:

InChI=1/C15H14N2O3/c1-9-10(6-4-7-12(9)16)14(18)17-13-8-3-2-5-11(13)15(19)20/h2-8H,16H2,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8516 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.20562	SlogP: 2.52772	Reactive groups: 0

Topological Properties
Globularity: 0.0247341	Sterimol/B1: 2.19115	Sterimol/B2: 2.67956	Sterimol/B3: 3.12587
Sterimol/B4: 6.96459	Sterimol/L: 14.4054

Surface and Volume Properties
Accessible surface: 475.34	Positive charged surface: 286.818	Negative charged surface: 188.522	Volume: 250.125
Hydrophobic surface: 321.833	Hydrophilic surface: 153.507

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs03964778
VITASM-ZINC04749460