MMsINC Database Search


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MMsINC code: MMs00764743

Type: Neutral
Formula: C₂₄H₂₃N₃O₂

SMILES:

O(C)c1cc(ccc1)C(Nc1nccc(c1)C)c1ccc2c(nc(cc2)C)c1O

InChI:

InChI=1/C24H23N3O2/c1-15-11-12-25-21(13-15)27-22(18-5-4-6-19(14-18)29-3)20-10-9-17-8-7-16(2)26-23(17)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.558 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -4.83454	SlogP: 5.25784	Reactive groups: 0

Topological Properties
Globularity: 0.246898	Sterimol/B1: 2.33225	Sterimol/B2: 3.8714	Sterimol/B3: 6.97678
Sterimol/B4: 10.925	Sterimol/L: 14.1019

Surface and Volume Properties
Accessible surface: 671.838	Positive charged surface: 444.075	Negative charged surface: 222.667	Volume: 382.75
Hydrophobic surface: 588.788	Hydrophilic surface: 83.05

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.