MMsINC Database Search


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MMsINC code: MMs02361471

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(CCCNC(=O)NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C17H20N2O2/c20-17(19-14-15-8-3-1-4-9-15)18-12-7-13-21-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.9495 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.41872	SlogP: 3.2213	Reactive groups: 1

Topological Properties
Globularity: 0.0252973	Sterimol/B1: 3.03468	Sterimol/B2: 3.61712	Sterimol/B3: 3.6193
Sterimol/B4: 4.92286	Sterimol/L: 20.7002

Surface and Volume Properties
Accessible surface: 597.944	Positive charged surface: 380.038	Negative charged surface: 217.906	Volume: 293.125
Hydrophobic surface: 515.7	Hydrophilic surface: 82.244

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.