MMsINC Database Search


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MMsINC code: MMs02331309

Type: Neutral
Formula: C₁₈H₁₄N₂O

SMILES:

Oc1ccc(Nc2cc3c4c([nH]c3cc2)cccc4)cc1

InChI:

InChI=1/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.033 kcal/mol

Physical Properties
Molecular Weight: 274.323 g/mol	logS: -4.77983	SlogP: 4.7703	Reactive groups: 0

Topological Properties
Globularity: 0.0467645	Sterimol/B1: 2.53832	Sterimol/B2: 2.66392	Sterimol/B3: 3.8307
Sterimol/B4: 7.98826	Sterimol/L: 14.3655

Surface and Volume Properties
Accessible surface: 519.09	Positive charged surface: 286.724	Negative charged surface: 221.265	Volume: 267.375
Hydrophobic surface: 424.233	Hydrophilic surface: 94.857

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 1	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.