MMsINC Database Search


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MMsINC code: MMs00701497

Type: Neutral
Formula: C₂₄H₂₃N₃O

SMILES:

Oc1c2nc(ccc2ccc1C(Nc1ncccc1)c1ccc(cc1)CC)C

InChI:

InChI=1/C24H23N3O/c1-3-17-8-11-18(12-9-17)22(27-21-6-4-5-15-25-21)20-14-13-19-10-7-16(2)26-23(19)24(20)28/h4-15,22,28H,3H2,1-2H3,(H,25,27)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.642 kcal/mol

Physical Properties
Molecular Weight: 369.468 g/mol	logS: -5.29938	SlogP: 5.50319	Reactive groups: 0

Topological Properties
Globularity: 0.178685	Sterimol/B1: 4.01496	Sterimol/B2: 4.47357	Sterimol/B3: 4.63493
Sterimol/B4: 10.3342	Sterimol/L: 14.5379

Surface and Volume Properties
Accessible surface: 655.921	Positive charged surface: 416.16	Negative charged surface: 234.589	Volume: 373.125
Hydrophobic surface: 557.846	Hydrophilic surface: 98.075

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.