MMsINC Database Search


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MMsINC code: MMs01391083

Type: Neutral
Formula: C₂₀H₂₁N₃O₃

SMILES:

O=C1N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)N(C1)C

InChI:

InChI=1/C20H21N3O3/c1-21-14-19(25)23(20(21)26)15-18(24)22(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.7488 kcal/mol

Physical Properties
Molecular Weight: 351.406 g/mol	logS: -3.53088	SlogP: 2.6422	Reactive groups: 0

Topological Properties
Globularity: 0.0842708	Sterimol/B1: 2.87122	Sterimol/B2: 3.93397	Sterimol/B3: 6.58489
Sterimol/B4: 7.47678	Sterimol/L: 14.89

Surface and Volume Properties
Accessible surface: 608.175	Positive charged surface: 383.476	Negative charged surface: 224.699	Volume: 342.875
Hydrophobic surface: 494.782	Hydrophilic surface: 113.393

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.