MMsINC Database Search


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MMsINC code: MMs01958719

Type: Neutral
Formula: C₁₈H₁₀N₂O₂

SMILES:

Oc1cc2c3c4n(c2cc1)C(=O)c1c(-c4ncc3)cccc1

InChI:

InChI=1/C18H10N2O2/c21-10-5-6-15-14(9-10)12-7-8-19-16-11-3-1-2-4-13(11)18(22)20(15)17(12)16/h1-9,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7557 kcal/mol

Physical Properties
Molecular Weight: 286.29 g/mol	logS: -4.70027	SlogP: 3.564	Reactive groups: 0

Topological Properties
Globularity: 0.0019048	Sterimol/B1: 2.097	Sterimol/B2: 2.24156	Sterimol/B3: 4.38419
Sterimol/B4: 6.01132	Sterimol/L: 14.8374

Surface and Volume Properties
Accessible surface: 475.899	Positive charged surface: 253.814	Negative charged surface: 204.582	Volume: 258.625
Hydrophobic surface: 374.973	Hydrophilic surface: 100.926

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.