MMsINC Database Search


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MMsINC code: MMs01713950

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C)c1ccccc1CN(C(=O)c1cc(nc2c1cccc2)C)C

InChI:

InChI=1/C20H20N2O2/c1-14-12-17(16-9-5-6-10-18(16)21-14)20(23)22(2)13-15-8-4-7-11-19(15)24-3/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3574 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.14523	SlogP: 4.09042	Reactive groups: 0

Topological Properties
Globularity: 0.143311	Sterimol/B1: 2.09253	Sterimol/B2: 3.86966	Sterimol/B3: 4.42029
Sterimol/B4: 8.56517	Sterimol/L: 13.3308

Surface and Volume Properties
Accessible surface: 569.899	Positive charged surface: 380.298	Negative charged surface: 184.504	Volume: 322.375
Hydrophobic surface: 518.74	Hydrophilic surface: 51.159

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.