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MMsINC code: MMs01505785

Type: Tautomer
Formula: C₂₂H₂₅N₃O₃

SMILES:

O1CCN(CC1)CN1C(=O)C(NC1=O)(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C22H25N3O3/c26-20-22(15-18-7-3-1-4-8-18,16-19-9-5-2-6-10-19)23-21(27)25(20)17-24-11-13-28-14-12-24/h1-10H,11-17H2,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2061 kcal/mol

Physical Properties
Molecular Weight: 379.46 g/mol	logS: -3.5881	SlogP: 2.05204	Reactive groups: 0

Topological Properties
Globularity: 0.18305	Sterimol/B1: 3.16206	Sterimol/B2: 3.28424	Sterimol/B3: 4.7002
Sterimol/B4: 7.12734	Sterimol/L: 13.3687

Surface and Volume Properties
Accessible surface: 564.573	Positive charged surface: 379.014	Negative charged surface: 185.559	Volume: 368.375
Hydrophobic surface: 499.158	Hydrophilic surface: 65.415

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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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Parent related molecule:

MMs01505784
ENAMINE-ZINC03554813