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MMsINC code: MMs02843243

Type: Neutral
Formula: C₂₁H₂₆N₂O₃

SMILES:

O(CCN1CCCCC1)c1cc(N2C(=O)C3C(CC=CC3)C2=O)ccc1

InChI:

InChI=1/C21H26N2O3/c24-20-18-9-2-3-10-19(18)21(25)23(20)16-7-6-8-17(15-16)26-14-13-22-11-4-1-5-12-22/h2-3,6-8,15,18-19H,1,4-5,9-14H2/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4501 kcal/mol

Physical Properties
Molecular Weight: 354.45 g/mol	logS: -2.65101	SlogP: 3.0069	Reactive groups: 0

Topological Properties
Globularity: 0.0552226	Sterimol/B1: 2.51474	Sterimol/B2: 3.90727	Sterimol/B3: 4.23085
Sterimol/B4: 8.02772	Sterimol/L: 18.0632

Surface and Volume Properties
Accessible surface: 628.089	Positive charged surface: 449.715	Negative charged surface: 178.374	Volume: 349.375
Hydrophobic surface: 532.059	Hydrophilic surface: 96.03

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02843244
PUBCHEM-ZINC02000951