MMsINC Database Search


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MMsINC code: MMs02064558

Type: Neutral
Formula: C₂₀H₁₉N₃O₃

SMILES:

O=C1N2CCCc3cc(NC(=O)C(=O)NCc4ccccc4)cc(C1)c23

InChI:

InChI=1/C20H19N3O3/c24-17-11-15-10-16(9-14-7-4-8-23(17)18(14)15)22-20(26)19(25)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4399 kcal/mol

Physical Properties
Molecular Weight: 349.39 g/mol	logS: -4.19305	SlogP: 2.04314	Reactive groups: 0

Topological Properties
Globularity: 0.0340974	Sterimol/B1: 3.30781	Sterimol/B2: 3.87576	Sterimol/B3: 4.19276
Sterimol/B4: 5.43738	Sterimol/L: 18.7217

Surface and Volume Properties
Accessible surface: 619.988	Positive charged surface: 399.501	Negative charged surface: 220.487	Volume: 328.75
Hydrophobic surface: 470.056	Hydrophilic surface: 149.932

Pharmacophoric Properties
Hydrogen bond donors: 2	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.