MMsINC Database Search


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MMsINC code: MMs02604594

Type: Neutral
Formula: C₂₀H₁₃NO₃

SMILES:

O1c2c(cccc2)C(=O)c2cc(C(=O)c3ccccc3)c(nc12)C

InChI:

InChI=1/C20H13NO3/c1-12-15(18(22)13-7-3-2-4-8-13)11-16-19(23)14-9-5-6-10-17(14)24-20(16)21-12/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1169 kcal/mol

Physical Properties
Molecular Weight: 315.328 g/mol	logS: -5.44596	SlogP: 3.95772	Reactive groups: 0

Topological Properties
Globularity: 0.0680242	Sterimol/B1: 2.46158	Sterimol/B2: 3.45973	Sterimol/B3: 5.16915
Sterimol/B4: 6.76394	Sterimol/L: 16.8489

Surface and Volume Properties
Accessible surface: 540.586	Positive charged surface: 283.401	Negative charged surface: 257.185	Volume: 296.5
Hydrophobic surface: 447.391	Hydrophilic surface: 93.195

Pharmacophoric Properties
Hydrogen bond donors: 0	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.