MMsINC Database Search


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MMsINC code: MMs02344565

Type: Neutral
Formula: C₁₅H₁₀N₂O₂

SMILES:

O=C1NC(=O)c2c1c1n(c3c(c1cc2)cccc3)C

InChI:

InChI=1/C15H10N2O2/c1-17-11-5-3-2-4-8(11)9-6-7-10-12(13(9)17)15(19)16-14(10)18/h2-7H,1H3,(H,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5268 kcal/mol

Physical Properties
Molecular Weight: 250.257 g/mol	logS: -4.07131	SlogP: 2.5743	Reactive groups: 0

Topological Properties
Globularity: 0.00653663	Sterimol/B1: 2.01158	Sterimol/B2: 2.10835	Sterimol/B3: 2.51307
Sterimol/B4: 7.29266	Sterimol/L: 13.3288

Surface and Volume Properties
Accessible surface: 430.411	Positive charged surface: 241.053	Negative charged surface: 178.238	Volume: 228.375
Hydrophobic surface: 309.074	Hydrophilic surface: 121.337

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.