MMsINC Database Search


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MMsINC code: MMs00800690

Type: Neutral
Formula: C₂₃H₂₃N₃O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.608 kcal/mol

Physical Properties
Molecular Weight: 373.456 g/mol	logS: -4.16701	SlogP: 3.8894	Reactive groups: 0

Topological Properties
Globularity: 0.0328935	Sterimol/B1: 3.46615	Sterimol/B2: 4.01439	Sterimol/B3: 4.03796
Sterimol/B4: 6.81553	Sterimol/L: 21.035

Surface and Volume Properties
Accessible surface: 672.237	Positive charged surface: 441.745	Negative charged surface: 230.492	Volume: 370.75
Hydrophobic surface: 611.116	Hydrophilic surface: 61.121

Pharmacophoric Properties
Hydrogen bond donors: 0	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.