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MMsINC code: MMs01646974

Type: Neutral
Formula: C₂₃H₂₃N₃O₂

SMILES:

O1CCN(CC1)c1cc(ncc1)C(=O)Nc1ccccc1Cc1ccccc1

InChI:

InChI=1/C23H23N3O2/c27-23(22-17-20(10-11-24-22)26-12-14-28-15-13-26)25-21-9-5-4-8-19(21)16-18-6-2-1-3-7-18/h1-11,17H,12-16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.268 kcal/mol

Physical Properties
Molecular Weight: 373.456 g/mol	logS: -4.27147	SlogP: 3.76127	Reactive groups: 0

Topological Properties
Globularity: 0.096675	Sterimol/B1: 2.29345	Sterimol/B2: 3.07093	Sterimol/B3: 6.17609
Sterimol/B4: 9.3704	Sterimol/L: 16.7012

Surface and Volume Properties
Accessible surface: 637.416	Positive charged surface: 437.519	Negative charged surface: 199.897	Volume: 369.75
Hydrophobic surface: 576.751	Hydrophilic surface: 60.665

Pharmacophoric Properties
Hydrogen bond donors: 1	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.