MMsINC Database Search


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MMsINC code: MMs02739682

Type: Neutral
Formula: C₂₃H₂₁N₃O₂

SMILES:

O(C)c1cc(ccc1OC)-c1nn(c(N)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H21N3O2/c1-27-19-14-13-17(15-20(19)28-2)22-21(16-9-5-3-6-10-16)23(24)26(25-22)18-11-7-4-8-12-18/h3-15H,24H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.254 kcal/mol

Physical Properties
Molecular Weight: 371.44 g/mol	logS: -6.49325	SlogP: 4.8057	Reactive groups: 0

Topological Properties
Globularity: 0.0819047	Sterimol/B1: 2.51893	Sterimol/B2: 4.83427	Sterimol/B3: 5.7144
Sterimol/B4: 7.93578	Sterimol/L: 17.4117

Surface and Volume Properties
Accessible surface: 659.561	Positive charged surface: 432.003	Negative charged surface: 227.557	Volume: 367.5
Hydrophobic surface: 591.104	Hydrophilic surface: 68.457

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.