MMsINC Database Search


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MMsINC code: MMs01737297

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C1N(CC(=O)N2C1Cc1c(C2)cccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C20H20N2O2/c1-14-6-8-15(9-7-14)11-21-13-19(23)22-12-17-5-3-2-4-16(17)10-18(22)20(21)24/h2-9,18H,10-13H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.33 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.06613	SlogP: 2.82349	Reactive groups: 0

Topological Properties
Globularity: 0.0929203	Sterimol/B1: 2.39999	Sterimol/B2: 3.94807	Sterimol/B3: 4.68882
Sterimol/B4: 6.03606	Sterimol/L: 17.4798

Surface and Volume Properties
Accessible surface: 562.723	Positive charged surface: 349.877	Negative charged surface: 212.846	Volume: 315.5
Hydrophobic surface: 486.433	Hydrophilic surface: 76.29

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.