MMsINC Database Search


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MMsINC code: MMs02023532

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C(C(=O)Nc1c(cc(cc1C)C)C)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C20H20N2O2/c1-11-9-12(2)18(13(3)10-11)22-20(24)19(23)17-14(4)21-16-8-6-5-7-15(16)17/h5-10,21H,1-4H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.316 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -5.08437	SlogP: 4.22298	Reactive groups: 0

Topological Properties
Globularity: 0.0771244	Sterimol/B1: 2.25234	Sterimol/B2: 3.62133	Sterimol/B3: 5.22445
Sterimol/B4: 6.44383	Sterimol/L: 16.3356

Surface and Volume Properties
Accessible surface: 589.246	Positive charged surface: 330.631	Negative charged surface: 253.508	Volume: 321
Hydrophobic surface: 510.705	Hydrophilic surface: 78.541

Pharmacophoric Properties
Hydrogen bond donors: 2	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.