MMsINC Database Search


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MMsINC code: MMs03217782

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

Oc1cc2c(cc1)c(NC(=O)c1ccccc1)ccc2N

InChI:

InChI=1/C17H14N2O2/c18-15-8-9-16(13-7-6-12(20)10-14(13)15)19-17(21)11-4-2-1-3-5-11/h1-10,20H,18H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.831 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.59168	SlogP: 3.3799	Reactive groups: 0

Topological Properties
Globularity: 0.0106724	Sterimol/B1: 2.46195	Sterimol/B2: 2.6799	Sterimol/B3: 4.36826
Sterimol/B4: 5.66429	Sterimol/L: 14.9697

Surface and Volume Properties
Accessible surface: 497.71	Positive charged surface: 273.586	Negative charged surface: 214.944	Volume: 263.875
Hydrophobic surface: 365.607	Hydrophilic surface: 132.103

Pharmacophoric Properties
Hydrogen bond donors: 3	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.