MMsINC Database Search


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MMsINC code: MMs03547370

Type: Neutral
Formula: C₂₀H₁₃NO

SMILES:

Oc1c2c3c4c5c(ccc4[nH]c3ccc2ccc1)cccc5

InChI:

InChI=1/C20H13NO/c22-17-7-3-5-13-9-11-16-20(18(13)17)19-14-6-2-1-4-12(14)8-10-15(19)21-16/h1-11,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6229 kcal/mol

Physical Properties
Molecular Weight: 283.33 g/mol	logS: -6.91527	SlogP: 5.3331	Reactive groups: 0

Topological Properties
Globularity: 0.0349847	Sterimol/B1: 2.37829	Sterimol/B2: 2.85227	Sterimol/B3: 3.79126
Sterimol/B4: 7.36699	Sterimol/L: 13.1419

Surface and Volume Properties
Accessible surface: 480.889	Positive charged surface: 257.382	Negative charged surface: 196.831	Volume: 276.375
Hydrophobic surface: 428.065	Hydrophilic surface: 52.824

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.