MMsINC Database Search


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MMsINC code: MMs02875361

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

O(N=C=O)Cc1ccccc1-c1ccccc1NC=O

InChI:

InChI=1/C15H12N2O3/c18-10-16-15-8-4-3-7-14(15)13-6-2-1-5-12(13)9-20-17-11-19/h1-8,10H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7795 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -3.91676	SlogP: 2.9557	Reactive groups: 1

Topological Properties
Globularity: 0.24992	Sterimol/B1: 3.25934	Sterimol/B2: 3.99356	Sterimol/B3: 4.16898
Sterimol/B4: 8.14424	Sterimol/L: 12.5879

Surface and Volume Properties
Accessible surface: 488.834	Positive charged surface: 278.838	Negative charged surface: 208.612	Volume: 251.875
Hydrophobic surface: 315.052	Hydrophilic surface: 173.782

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.